N-(6-methylheptan-2-yl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(6-methylheptan-2-yl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1,5-dimethylhexyl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(6-methylheptan-2-yl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(6-methylheptan-2-yl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1,5-dimethylhexyl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H28N4OS MolecularWeight: 360.51682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC(=O)NC(C)CCCC(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC(=O)NC(C)CCCC(C)C

InChI

InChI=1S/C19H28N4OS/c1-14(2)8-7-10-16(4)21-18(24)12-25-19-22-20-13-23(19)17-11-6-5-9-15(17)3/h5-6,9,11,13-14,16H,7-8,10,12H2,1-4H3,(H,21,24)