2-[[5-chloranyl-2-(6-oxidanylidene-2-phenylsulfanyl-cyclohexen-1-yl)carbonyl-phenyl]methyl]-4,5-dimethyl-1,2,4-triazol-3-one

Systemtic Name: 2-[[5-chloranyl-2-(6-oxidanylidene-2-phenylsulfanyl-cyclohexen-1-yl)carbonyl-phenyl]methyl]-4,5-dimethyl-1,2,4-triazol-3-one Openeye Name: 2-[[5-chloro-2-(6-oxo-2-phenylsulfanyl-cyclohexene-1-carbonyl)phenyl]methyl]-4,5-dimethyl-1,2,4-triazol-3-one CAS Name: 2-[[5-chloro-2-[oxo-[6-oxo-2-(phenylthio)-1-cyclohexenyl]methyl]phenyl]methyl]-4,5-dimethyl-1,2,4-triazol-3-one IUPAC Name: 2-[[5-chloro-2-(6-oxo-2-phenylsulfanylcyclohexene-1-carbonyl)phenyl]methyl]-4,5-dimethyl-1,2,4-triazol-3-one Traditional Name: 2-[5-chloro-2-[6-keto-2-(phenylthio)cyclohexene-1-carbonyl]benzyl]-4,5-dimethyl-1,2,4-triazol-3-one Formula: C24H22ClN3O3S MolecularWeight: 467.96778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C)CC2=C(C=CC(=C2)Cl)C(=O)C3=C(CCCC3=O)SC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)N1C)CC2=C(C=CC(=C2)Cl)C(=O)C3=C(CCCC3=O)SC4=CC=CC=C4

InChI

InChI=1S/C24H22ClN3O3S/c1-15-26-28(24(31)27(15)2)14-16-13-17(25)11-12-19(16)23(30)22-20(29)9-6-10-21(22)32-18-7-4-3-5-8-18/h3-5,7-8,11-13H,6,9-10,14H2,1-2H3