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

Systemtic Name: 2-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[[4-(2-methylcyclohexyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide CAS Name: 2-[[4-(2-methylcyclohexyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[[4-(2-methylcyclohexyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)acetamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C)C4=CN=CC=C4

Isomeric SMILES

CC1CCCCC1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C)C4=CN=CC=C4

InChI

InChI=1S/C23H27N5OS/c1-16-9-11-19(12-10-16)25-21(29)15-30-23-27-26-22(18-7-5-13-24-14-18)28(23)20-8-4-3-6-17(20)2/h5,7,9-14,17,20H,3-4,6,8,15H2,1-2H3,(H,25,29)