N-(5-chloranyl-2-methoxy-phenyl)-2-(3-cyano-7-methyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-(3-cyano-7-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[(3-cyano-7-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(3-cyano-7-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[(3-cyano-7-methyl-2-quinolyl)thio]acetamide Formula: C20H16ClN3O2S MolecularWeight: 397.87794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O2S/c1-12-3-4-13-8-14(10-22)20(24-16(13)7-12)27-11-19(25)23-17-9-15(21)5-6-18(17)26-2/h3-9H,11H2,1-2H3,(H,23,25)