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

Systemtic Name: N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(1,1-dimethylpropyl)cyclohexyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-tert-amylcyclohexyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C20H29N5OS/c1-4-20(2,3)15-5-7-16(8-6-15)22-17(26)13-27-19-23-18(24-25-19)14-9-11-21-12-10-14/h9-12,15-16H,4-8,13H2,1-3H3,(H,22,26)(H,23,24,25)