[3-(4-chlorophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone

Systemtic Name: [3-(4-chlorophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: [5-benzylsulfanyl-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone CAS Name: [3-(4-chlorophenyl)-5-(phenylmethylthio)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [5-benzylsulfanyl-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: [5-(benzylthio)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone Formula: C24H20ClN3O3S MolecularWeight: 465.9519

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)SCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=C(C=C3)Cl)SCC4=CC=CC=C4)OC

InChI

InChI=1S/C24H20ClN3O3S/c1-30-20-13-10-18(14-21(20)31-2)23(29)28-24(32-15-16-6-4-3-5-7-16)26-22(27-28)17-8-11-19(25)12-9-17/h3-14H,15H2,1-2H3