N-cyclohexyl-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-cyclohexyl-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cyclohexyl-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclohexyl-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cyclohexyl-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H25N5OS MolecularWeight: 407.5318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3CCCCC3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3CCCCC3)C4=CC=NC=C4

InChI

InChI=1S/C22H25N5OS/c1-16-7-5-6-10-19(16)27-21(17-11-13-23-14-12-17)25-26-22(27)29-15-20(28)24-18-8-3-2-4-9-18/h5-7,10-14,18H,2-4,8-9,15H2,1H3,(H,24,28)