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

Systemtic Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: 2-(1-benzylimidazol-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide CAS Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]acetamide IUPAC Name: 2-(1-benzylimidazol-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide Traditional Name: 2-[(1-benzylimidazol-2-yl)thio]-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide Formula: C21H19FN4OS MolecularWeight: 394.465163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CN=C2SCC(=O)N(CCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CN=C2SCC(=O)N(CCC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H19FN4OS/c22-18-7-9-19(10-8-18)26(13-4-11-23)20(27)16-28-21-24-12-14-25(21)15-17-5-2-1-3-6-17/h1-3,5-10,12,14H,4,13,15-16H2