N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[1-(m-tolyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[[1-(3-methylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[[1-(m-tolyl)imidazol-2-yl]thio]acetamide Formula: C21H19FN4OS MolecularWeight: 394.465163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3F

InChI

InChI=1S/C21H19FN4OS/c1-16-6-4-7-17(14-16)25-13-11-24-21(25)28-15-20(27)26(12-5-10-23)19-9-3-2-8-18(19)22/h2-4,6-9,11,13-14H,5,12,15H2,1H3