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

Systemtic Name: 2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-N-phenyl-2-phenyldiazenyl-butanamide Openeye Name: 3-oxo-N-phenyl-2-phenylazo-2-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: 2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3-oxo-N-phenyl-2-phenyldiazenylbutanamide IUPAC Name: 2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-N-phenyl-2-phenyldiazenylbutanamide Traditional Name: 3-keto-N-phenyl-2-phenylazo-2-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]butyramide Formula: C31H26N6O2S MolecularWeight: 546.64214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SC(C(=O)C)(C(=O)NC4=CC=CC=C4)N=NC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SC(C(=O)C)(C(=O)NC4=CC=CC=C4)N=NC5=CC=CC=C5

InChI

InChI=1S/C31H26N6O2S/c1-22-18-20-24(21-19-22)28-34-35-30(37(28)27-16-10-5-11-17-27)40-31(23(2)38,36-33-26-14-8-4-9-15-26)29(39)32-25-12-6-3-7-13-25/h3-21H,1-2H3,(H,32,39)