N-(1-cyano-4-methyl-cyclohexyl)-N-methyl-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-cyano-4-methyl-cyclohexyl)-N-methyl-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyano-4-methyl-cyclohexyl)-N-methyl-acetamide CAS Name: N-(1-cyano-4-methylcyclohexyl)-N-methyl-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyano-4-methylcyclohexyl)-N-methylacetamide Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(1-cyano-4-methyl-cyclohexyl)-N-methyl-acetamide Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C#N)N(C)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C

Isomeric SMILES

CC1CCC(CC1)(C#N)N(C)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C

InChI

InChI=1S/C21H27N5OS/c1-16-9-11-21(15-22,12-10-16)25(3)19(27)14-28-20-24-23-17(2)26(20)13-18-7-5-4-6-8-18/h4-8,16H,9-14H2,1-3H3