2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)propanamide

Systemtic Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)propanamide Openeye Name: N-isobutyl-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-methylpropyl)propanamide IUPAC Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)propanamide Traditional Name: N-isobutyl-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C16H22N4OS MolecularWeight: 318.43708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)NCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)NCC(C)C

InChI

InChI=1S/C16H22N4OS/c1-10(2)9-17-15(21)12(4)22-16-18-14(19-20-16)13-7-5-11(3)6-8-13/h5-8,10,12H,9H2,1-4H3,(H,17,21)(H,18,19,20)