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

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-2-(3-cyano-7-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-2-[(3-cyano-7-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(5-chloro-2-methylphenyl)-2-[(3-cyano-7-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(5-chloro-2-methylphenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-2-[(3-cyano-7-methyl-2-quinolyl)thio]acetamide Formula: C20H16ClN3OS MolecularWeight: 381.87854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3OS/c1-12-3-5-14-8-15(10-22)20(24-18(14)7-12)26-11-19(25)23-17-9-16(21)6-4-13(17)2/h3-9H,11H2,1-2H3,(H,23,25)