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

Systemtic Name: 5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)pentanamide Openeye Name: N-benzyl-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-(phenylmethyl)pentanamide IUPAC Name: N-benzyl-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Traditional Name: N-benzyl-5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]valeramide Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4OS/c1-21-15-17-24(18-16-21)31-26(23-12-6-3-7-13-23)29-30-27(31)33-19-9-8-14-25(32)28-20-22-10-4-2-5-11-22/h2-7,10-13,15-18H,8-9,14,19-20H2,1H3,(H,28,32)