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

Systemtic Name: N-(2-cyanoethyl)-2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(2-fluorophenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]-N-(2-fluorophenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]-N-(2-fluorophenyl)acetamide Formula: C22H27FN4OS MolecularWeight: 414.539383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)N(CCC#N)C2=CC=CC=C2F)C3CCCCC3)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)N(CCC#N)C2=CC=CC=C2F)C3CCCCC3)C

InChI

InChI=1S/C22H27FN4OS/c1-16-17(2)27(18-9-4-3-5-10-18)22(25-16)29-15-21(28)26(14-8-13-24)20-12-7-6-11-19(20)23/h6-7,11-12,18H,3-5,8-10,14-15H2,1-2H3