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

Systemtic Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-pentanamide Openeye Name: N-phenethyl-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide CAS Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenethylpentanamide IUPAC Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylpentanamide Traditional Name: N-phenethyl-5-[[4-phenyl-5-(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)C2=NN=C(N2C3=CC=CC=C3)SCCCCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H30N4OS/c1-22-15-17-24(18-16-22)27-30-31-28(32(27)25-12-6-3-7-13-25)34-21-9-8-14-26(33)29-20-19-23-10-4-2-5-11-23/h2-7,10-13,15-18H,8-9,14,19-21H2,1H3,(H,29,33)