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

Systemtic Name: 4-[[5-(3-methylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-N-phenyl-butanamide Openeye Name: 4-[[4-benzyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-N-phenyl-butanamide CAS Name: 4-[[5-(3-methylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-3-oxo-N-phenylbutanamide IUPAC Name: 4-[[4-benzyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-N-phenylbutanamide Traditional Name: 4-[[4-benzyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-3-keto-N-phenyl-butyramide Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H24N4O2S/c1-19-9-8-12-21(15-19)25-28-29-26(30(25)17-20-10-4-2-5-11-20)33-18-23(31)16-24(32)27-22-13-6-3-7-14-22/h2-15H,16-18H2,1H3,(H,27,32)