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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylcyclohexyl)ethanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide CAS Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-N-(4-methylcyclohexyl)acetamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide Traditional Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-N-(4-methylcyclohexyl)acetamide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)NC(=O)C)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)NC(=O)C)C

InChI

InChI=1S/C20H27N5O2S/c1-13-7-9-16(10-8-13)22-19(27)12-28-20-24-23-14(2)25(20)18-6-4-5-17(11-18)21-15(3)26/h4-6,11,13,16H,7-10,12H2,1-3H3,(H,21,26)(H,22,27)