2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylpropyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylpropyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: N-isobutyl-2-(p-tolylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: 2-[(4-methylphenyl)methylthio]-N-(2-methylpropyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylpropyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: N-isobutyl-2-[(4-methylbenzyl)thio]-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C19H28N4OS MolecularWeight: 360.51682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N(CC(C)C)C1=NC=NN1)SCC2=CC=C(C=C2)C

Isomeric SMILES

CCCC(C(=O)N(CC(C)C)C1=NC=NN1)SCC2=CC=C(C=C2)C

InChI

InChI=1S/C19H28N4OS/c1-5-6-17(25-12-16-9-7-15(4)8-10-16)18(24)23(11-14(2)3)19-20-13-21-22-19/h7-10,13-14,17H,5-6,11-12H2,1-4H3,(H,20,21,22)