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

Systemtic Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)pentanamide Openeye Name: 5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridylmethyl)pentanamide CAS Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-pyridinylmethyl)pentanamide IUPAC Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)pentanamide Traditional Name: 5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-(2-pyridylmethyl)valeramide Formula: C26H27N5OS MolecularWeight: 457.59048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCCC(=O)NCC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCCC(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C26H27N5OS/c1-20-13-15-21(16-14-20)25-29-30-26(31(25)23-10-3-2-4-11-23)33-18-8-6-12-24(32)28-19-22-9-5-7-17-27-22/h2-5,7,9-11,13-17H,6,8,12,18-19H2,1H3,(H,28,32)