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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)N(C)C(=O)CSC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C#N)N(C)C(=O)CSC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N5OS/c1-21(2,15-22)25(3)18(27)14-28-20-23-19(16-10-6-4-7-11-16)26(24-20)17-12-8-5-9-13-17/h5,8-9,12-13,16H,4,6-7,10-11,14H2,1-3H3