Organoheterocyclic compounds
Clothianidin, TRC
CAS: 210880-92-5 Molecular Formula: C6 H8 Cl N5 O2 S Molecular Weight (g/mol): 249.68 Synonym: [C(E)]-N-[(2-Chloro-5-thiazolyl)methyl]-N'-methyl-N' '-nitroguanidine,(E)-1-(2-Chloro-1,3-thiazol-5-yl methyl)-3-methyl-2-nitroguanidine,(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3-methyl-2-nitroguanidine,(E)-1-(2-Chloro-1,3-thiazole-5-ylmethyl)-3-methyl-2-nitroguanidine,Apacz,Arena,Belay,Celero,Clothianidin,Clutch,Clutch (insecticide),Dantop,Dantotsu,Dantotsu 16WSG,Fullswing,NipsIt,NipsIt Inside,Nipsit Inside Insecticide,Poncho,Poncho 250,Poncho 600,TI 435,TM 44401,Takeloc CLMN 10,Takeloc MC 50 Super,Takeloc MC 50E,Takelock MC 50 super,Titan ST,V 10170 IUPAC Name: 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine SMILES: CN\C(=N/[N+](=O)[O-])\NCc1cnc(Cl)s1
Luminol, TRC
CAS: 521-31-3 Molecular Formula: C8 H7 N3 O2 Molecular Weight (g/mol): 177.16 Synonym: 1,4-Phthalazinedione, 5-amino-2,3-dihydro-,5-Amino-2,3-dihydro-1,4-phthalazinedione,3-Aminophthalhydrazide,3-Aminophthalic acid hydrazide,3-Aminophthalic hydrazide,5-Amino-1,4-dihydroxyphthalazine,Diogenes reagent,Luminol,NSC 5064 IUPAC Name: 5-amino-2,3-dihydrophthalazine-1,4-dione SMILES: Nc1cccc2C(=O)NNC(=O)c12
Quinocetone, TRC
CAS: 81810-66-4 Molecular Formula: C18 H14 N2 O3 Molecular Weight (g/mol): 306.32 Synonym: 2-Propen-1-one, 1-(3-methyl-2-quinoxalinyl)-3-phenyl-, N,N'-dioxide,1-(3-Methyl-1,4-dioxido-2-quinoxalinyl)-3-phenyl-2-propen-1-one,NSC 621477,Quinocetone IUPAC Name: (E)-1-(3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-3-phenylprop-2-en-1-one SMILES: Cc1c(C(=O)\C=C\c2ccccc2)[n+]([O-])c3ccccc3[n+]1[O-]
Tebuthiuron, TRC
CAS: 34014-18-1 Molecular Formula: C9 H16 N4 O S Molecular Weight (g/mol): 228.31 Synonym: Spike,N-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]-N,N′-dimethylurea IUPAC Name: 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea SMILES: CNC(=O)N(C)c1nnc(s1)C(C)(C)C
Indisetron, TRC
CAS: 141549-75-9 Molecular Formula: C17H23N5O Molecular Weight (g/mol): 313.4 Synonym: N-[(7-endo)-3,9-Dimethyl-3,9-diazabicyclo[3.3.1]non-7-yl]-1H-indazole-3-carboxamide,endo-N-(3,9-Dimethyl-3,9-diazabicyclo[3.3.1]non-7-yl)-1H-indazole-3-carboxamide IUPAC Name: N-[(1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide SMILES: CN1C[C@H]2C[C@H](C[C@@H](C1)N2C)NC(=O)c3n[nH]c4ccccc34
Tetramethrin, TRC
CAS: 7696-12-0 Molecular Formula: C19 H25 N O4 Molecular Weight (g/mol): 331.41 Synonym: Tetramethrin,Phthalthrin,Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester (ACI),Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester (9CI),Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with N-(hydroxymethyl)-1-cyclohexene-1,2-dicarboximide (7CI, 8CI),(1,3-Dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate,(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemate,(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemumate,Bioneo-Pynamin,d-Tetramethrin,Insectol,Neo-Pynamin,Neo-Pynamin Forte,Phthalthrin,Pibutox,Pion 1,Pyrethrol L,Tetramethrin IUPAC Name: (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate SMILES: CC(=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C)C
Propyphenazone, TRC
CAS: 479-92-5 Molecular Formula: C14 H18 N2 O Molecular Weight (g/mol): 230.31 Synonym: Propyphenazone,3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-(1-methylethyl)-2-phenyl-,Antipyrine, 4-isopropyl- (6CI,7CI,8CI),1,2-Dihydro-1,5-dimethyl-4-(1-methylethyl)-2-phenyl-3H-pyrazol-3-one,1,2-Dihydro-1,5-dimethyl-2-phenyl-4-isopropyl-3H-pyrazol-3-one,1,5-Dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one,1-Phenyl-2,3-dimethyl-4-isopropyl-3-pyrazolin-5-one,1-Phenyl-2,3-dimethyl-4-isopropylpyrazol-5-one,4-Isopropyl-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one,4-Isopropylantipyrine,4-Isopropylphenazone,Arantil P,Budirol,Causyth,Cibalgina,Eufibron,Isopropchin,Isopropylantipyrin,Isopropylantipyrine,Isopropylphenazone,Isopropyrine,Larodon,Propyfenazone,Propyphenazone IUPAC Name: 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one SMILES: CC(C)C1=C(C)N(C)N(C1=O)c2ccccc2
Xanthone, TRC
CAS: 90-47-1 Molecular Formula: C13 H8 O2 Molecular Weight (g/mol): 196.2 Synonym: Xanthen-9-one (8CI),9-Oxoxanthene,9-Xanthone,9H-Xanthene, 9-oxo-,Benzophenone oxide,Dibenzo-γ-pyrone,Diphenylene ketone oxide,Genicide,NSC 14978,Xanthenone,Xanthone IUPAC Name: xanthen-9-one SMILES: O=C1c2ccccc2Oc3ccccc13
Phthalazine, TRC
CAS: 253-52-1 Molecular Formula: C8 H6 N2 Molecular Weight (g/mol): 130.15 Synonym: 2,3-Benzodiazine,2,3-Diazanaphthalene,Benzo[d]pyridazine,NSC 62484,NSC 63241,β-Phenodiazine IUPAC Name: phthalazine SMILES: c1ccc2cnncc2c1
Phthalide, TRC
CAS: 87-41-2 Molecular Formula: C8 H6 O2 Molecular Weight (g/mol): 134.13 Synonym: 1(3H)-Isobenzofuranone (9CI, ACI),Phthalide (6CI, 8CI),1,3-Dihydro-2-benzofuran-1-one,1-Phthalanone,2-Benzofuran-1(3H)-one,2-Hydroxymethylbenzoic acid γ-lactone,3H-Isobenzofuran-1-one,NSC 1469,Phthalolactone IUPAC Name: 3H-2-benzofuran-1-one SMILES: O=C1OCc2ccccc12
Rimsulfuron, TRC
CAS: 122931-48-0 Molecular Formula: C14 H17 N5 O7 S2 Molecular Weight (g/mol): 431.44 Synonym: DPX-E9636,N-[(4,6-dimethoxypyrimidin-2-yl)aminocarbonyl]-3-(ethylsulfonyl)-2-pyridinesulfonamide IUPAC Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-(3-ethylsulfonylpyridin-2-yl)sulfonylurea SMILES: CCS(=O)(=O)c1cccnc1S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2
Sutezolid, TRC
CAS: 168828-58-8 Molecular Formula: C16H20FN3O3S Molecular Weight (g/mol): 353.41 Synonym: N-[[(5S)-3-[3-Fluoro-4-(4-thiomorpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide,PNU 100480,U 100480 IUPAC Name: N-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide SMILES: CC(NC[C@H]1CN(C(O1)=O)C2=CC(F)=C(N3CCSCC3)C=C2)=O
Phenazopyridine, TRC
CAS: 94-78-0 Molecular Formula: C11H11N5 Molecular Weight (g/mol): 213.24 Synonym: 3-(2-Phenyldiazenyl)-2,6-pyridinediamine Hydrochloride,3-(Phenylazo)-2,6-pyridinediamine,2,6-Diamino-3-phenylazopyridine,Gastracid,Gastrotest,NSC 145895 IUPAC Name: 3-[(E)-phenyldiazenyl]pyridine-2,6-diamine SMILES: Nc1ccc(N=Nc2ccccc2)c(N)n1
Ilaprazole, TRC
CAS: 172152-36-2 Molecular Formula: C19 H18 N4 O2 S Molecular Weight (g/mol): 366.44 Synonym: 2-[[(4-Methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-6-(1H-pyrrol-1-yl)-1H-benzimidazole,1H-Benzimidazole, 2-[[(4-methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-5-(1H-pyrrol-1-yl)- (9CI),2-[[(4-Methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-6-(1H-pyrrol-1-yl)-1H-benzimidazole,IY 81149,Ilaprazole,2-[[(4-Methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-6-(1H-pyrrol-1-yl)-1H-benzimidazole,1H-Benzimidazole, 2-[[(4-methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-5-(1H-pyrrol-1-yl)- (9CI),2-[[(4-Methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-6-(1H-pyrrol-1-yl)-1H-benzimidazole,IY 81149 IUPAC Name: 2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfinyl]-5-pyrrol-1-yl-1H-benzimidazole SMILES: COc1ccnc(CS(=O)c2nc3cc(ccc3[nH]2)n4cccc4)c1C
Niperoditine, TRC
CAS: 84845-75-0 Molecular Formula: C20H26N4O5S Molecular Weight (g/mol): 434.51 Synonym: N-(1,3-Benzodioxol-5-ylmethyl)-N'-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2-nitro-1,1-ethenediamine IUPAC Name: 1-N'-(1,3-benzodioxol-5-ylmethyl)-1-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine SMILES: CN(C)Cc1oc(CSCCNC(=C[N+](=O)[O-])NCc2ccc3OCOc3c2)cc1