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

Systemtic Name: 5-[[4-(2-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-pentanamide Openeye Name: 5-[[5-benzyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-pentanamide CAS Name: 5-[[4-(2-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-propan-2-ylpentanamide IUPAC Name: 5-[[5-benzyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylpentanamide Traditional Name: 5-[[5-benzyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-isopropyl-valeramide Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCCCC(=O)NC(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCCCC(=O)NC(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C24H30N4OS/c1-18(2)25-23(29)15-9-10-16-30-24-27-26-22(17-20-12-5-4-6-13-20)28(24)21-14-8-7-11-19(21)3/h4-8,11-14,18H,9-10,15-17H2,1-3H3,(H,25,29)