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

Systemtic Name: 5-[[4-(2-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-pentanamide Openeye Name: 5-[[5-benzyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-pentanamide CAS Name: 5-[[4-(2-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-phenethylpentanamide IUPAC Name: 5-[[5-benzyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylpentanamide Traditional Name: 5-[[5-benzyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-valeramide Formula: C29H32N4OS MolecularWeight: 484.65558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCCCC(=O)NCCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCCCC(=O)NCCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H32N4OS/c1-23-12-8-9-17-26(23)33-27(22-25-15-6-3-7-16-25)31-32-29(33)35-21-11-10-18-28(34)30-20-19-24-13-4-2-5-14-24/h2-9,12-17H,10-11,18-22H2,1H3,(H,30,34)