N-(2-cyanoethyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[[1-(2,4-dimethylphenyl)-2-imidazolyl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]thio]-N-(4-fluorophenyl)acetamide Formula: C22H21FN4OS MolecularWeight: 408.491743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)N(CCC#N)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)N(CCC#N)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H21FN4OS/c1-16-4-9-20(17(2)14-16)27-13-11-25-22(27)29-15-21(28)26(12-3-10-24)19-7-5-18(23)6-8-19/h4-9,11,13-14H,3,12,15H2,1-2H3