N-(2-methylcyclohexyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-methylcyclohexyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylcyclohexyl)acetamide CAS Name: N-(2-methylcyclohexyl)-2-[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methylcyclohexyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-methylcyclohexyl)-2-[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H31N5OS MolecularWeight: 449.61154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3C(C)C)C4=CN=CC=C4

Isomeric SMILES

CC1CCCCC1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3C(C)C)C4=CN=CC=C4

InChI

InChI=1S/C25H31N5OS/c1-17(2)20-11-5-7-13-22(20)30-24(19-10-8-14-26-15-19)28-29-25(30)32-16-23(31)27-21-12-6-4-9-18(21)3/h5,7-8,10-11,13-15,17-18,21H,4,6,9,12,16H2,1-3H3,(H,27,31)