2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-N-phenyl-butanamide

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-N-phenyl-butanamide Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-N-phenyl-butanamide CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-3-oxo-N-phenylbutanamide IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-N-phenylbutanamide Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-3-keto-N-phenyl-butyramide Formula: C24H20N4O2S MolecularWeight: 428.5062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H20N4O2S/c1-17(29)21(23(30)25-19-13-7-3-8-14-19)31-24-27-26-22(18-11-5-2-6-12-18)28(24)20-15-9-4-10-16-20/h2-16,21H,1H3,(H,25,30)