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

Systemtic Name: 4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: 4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-benzyl-4-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]butyramide Formula: C26H26N4OS MolecularWeight: 442.57584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4OS/c1-20-14-16-23(17-15-20)30-25(22-11-6-3-7-12-22)28-29-26(30)32-18-8-13-24(31)27-19-21-9-4-2-5-10-21/h2-7,9-12,14-17H,8,13,18-19H2,1H3,(H,27,31)