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

Systemtic Name: 5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)pentanamide Openeye Name: N-(1-phenylethyl)-5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide CAS Name: 5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)pentanamide IUPAC Name: 5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)pentanamide Traditional Name: N-(1-phenylethyl)-5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]valeramide Formula: C28H30N4OS MolecularWeight: 470.629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)NC(C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)NC(C)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H30N4OS/c1-21-16-18-25(19-17-21)32-27(24-13-7-4-8-14-24)30-31-28(32)34-20-10-9-15-26(33)29-22(2)23-11-5-3-6-12-23/h3-8,11-14,16-19,22H,9-10,15,20H2,1-2H3,(H,29,33)