N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(4-methyl-2-quinolyl)thio]acetamide Formula: C21H18FN3OS MolecularWeight: 379.450523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N(CCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N(CCC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FN3OS/c1-15-13-20(24-19-6-3-2-5-18(15)19)27-14-21(26)25(12-4-11-23)17-9-7-16(22)8-10-17/h2-3,5-10,13H,4,12,14H2,1H3