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

Systemtic Name: 5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-N-(phenylmethyl)pentanamide Openeye Name: N-benzyl-N-phenethyl-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-phenethyl-N-(phenylmethyl)pentanamide IUPAC Name: N-benzyl-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylpentanamide Traditional Name: N-benzyl-N-phenethyl-5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]valeramide Formula: C35H36N4OS MolecularWeight: 560.75154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H36N4OS/c1-28-20-22-32(23-21-28)39-34(31-17-9-4-10-18-31)36-37-35(39)41-26-12-11-19-33(40)38(27-30-15-7-3-8-16-30)25-24-29-13-5-2-6-14-29/h2-10,13-18,20-23H,11-12,19,24-27H2,1H3