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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-(3-cyano-7-methoxy-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[(3-cyano-7-methoxy-2-quinolyl)sulfanyl]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[(3-cyano-7-methoxy-2-quinolinyl)thio]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-(3-cyano-7-methoxyquinolin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[(3-cyano-7-methoxy-2-quinolyl)thio]acetamide Formula: C20H16ClN3O2S MolecularWeight: 397.87794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)OC)C=C2C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)OC)C=C2C#N)Cl

InChI

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