N-(3-cyanophenyl)-2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3-cyanophenyl)-2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(3-cyanophenyl)-2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-propanamide CAS Name: N-(3-cyanophenyl)-2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]propanamide IUPAC Name: N-(3-cyanophenyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(3-cyanophenyl)-2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]propionamide Formula: C21H26N4OS MolecularWeight: 382.52234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SC(C)C(=O)NC2=CC=CC(=C2)C#N)C3CCCCC3)C

Isomeric SMILES

CC1=C(N(C(=N1)SC(C)C(=O)NC2=CC=CC(=C2)C#N)C3CCCCC3)C

InChI

InChI=1S/C21H26N4OS/c1-14-15(2)25(19-10-5-4-6-11-19)21(23-14)27-16(3)20(26)24-18-9-7-8-17(12-18)13-22/h7-9,12,16,19H,4-6,10-11H2,1-3H3,(H,24,26)