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

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H29N5OS MolecularWeight: 411.56356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5OS/c1-16(2)22(3,15-23)25-19(28)14-29-21-24-20(17-10-6-4-7-11-17)27(26-21)18-12-8-5-9-13-18/h5,8-9,12-13,16-17H,4,6-7,10-11,14H2,1-3H3,(H,25,28)