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

Systemtic Name: N-(cyanomethyl)-2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]-N-phenyl-acetamide Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4OS/c1-16-17(2)25(19-11-7-4-8-12-19)21(23-16)27-15-20(26)24(14-13-22)18-9-5-3-6-10-18/h3,5-6,9-10,19H,4,7-8,11-12,14-15H2,1-2H3