N-(5-chloranyl-2-cyano-phenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[(4,8-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[(4,8-dimethyl-2-quinolyl)thio]acetamide Formula: C20H16ClN3OS MolecularWeight: 381.87854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

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