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

Systemtic Name: (3,4-dimethoxyphenyl)-[3-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]methanone Openeye Name: (5-benzylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)-(3,4-dimethoxyphenyl)methanone CAS Name: (3,4-dimethoxyphenyl)-[3-phenyl-5-(phenylmethylthio)-1,2,4-triazol-1-yl]methanone IUPAC Name: (5-benzylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)-(3,4-dimethoxyphenyl)methanone Traditional Name: [5-(benzylthio)-3-phenyl-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O3S/c1-29-20-14-13-19(15-21(20)30-2)23(28)27-24(31-16-17-9-5-3-6-10-17)25-22(26-27)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3