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

Systemtic Name: N-(2-methylcyclohexyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(2-methylcyclohexyl)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-methylcyclohexyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-methylcyclohexyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(2-methylcyclohexyl)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H28N4OS MolecularWeight: 372.52752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)SC2=NN=C(N2C)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)SC2=NN=C(N2C)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H28N4OS/c1-13-9-11-16(12-10-13)18-22-23-20(24(18)4)26-15(3)19(25)21-17-8-6-5-7-14(17)2/h9-12,14-15,17H,5-8H2,1-4H3,(H,21,25)