N-(3-chloranyl-4-fluoranyl-phenyl)-2-(3-cyano-7-methyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-(3-cyano-7-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[(3-cyano-7-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[(3-cyano-7-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[(3-cyano-7-methyl-2-quinolyl)thio]acetamide Formula: C19H13ClFN3OS MolecularWeight: 385.842423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC(=C(C=C3)F)Cl)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC(=C(C=C3)F)Cl)C#N

InChI

InChI=1S/C19H13ClFN3OS/c1-11-2-3-12-7-13(9-22)19(24-17(12)6-11)26-10-18(25)23-14-4-5-16(21)15(20)8-14/h2-8H,10H2,1H3,(H,23,25)