N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[1-(m-tolyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[[1-(3-methylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(4-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=C(C=C3)F

Isomeric SMILES

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

InChI

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