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

Systemtic Name: N-(1-cyano-4-methyl-cyclohexyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-ethanamide Openeye Name: N-(1-cyano-4-methyl-cyclohexyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-acetamide CAS Name: N-(1-cyano-4-methylcyclohexyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-methylacetamide IUPAC Name: N-(1-cyano-4-methylcyclohexyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide Traditional Name: N-(1-cyano-4-methyl-cyclohexyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-methyl-acetamide Formula: C22H27N5OS MolecularWeight: 409.54768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C#N)N(C)C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CC1CCC(CC1)(C#N)N(C)C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5OS/c1-16-10-12-22(15-23,13-11-16)26(2)19(28)14-29-21-24-20(17-8-9-17)27(25-21)18-6-4-3-5-7-18/h3-7,16-17H,8-14H2,1-2H3