N-(2-cyanoethyl)-2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]-N-phenyl-acetamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)N(CCC#N)C2=CC=CC=C2)C3CCCCC3)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)N(CCC#N)C2=CC=CC=C2)C3CCCCC3)C

InChI

InChI=1S/C22H28N4OS/c1-17-18(2)26(20-12-7-4-8-13-20)22(24-17)28-16-21(27)25(15-9-14-23)19-10-5-3-6-11-19/h3,5-6,10-11,20H,4,7-9,12-13,15-16H2,1-2H3