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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-(3-cyano-7-methoxy-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[(3-cyano-7-methoxy-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[(3-cyano-7-methoxy-2-quinolinyl)thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(3-cyano-7-methoxyquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(3-cyano-7-methoxy-2-quinolyl)thio]acetamide Formula: C20H16BrN3O2S MolecularWeight: 442.32894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN3O2S/c1-12-3-6-17(16(21)7-12)23-19(25)11-27-20-14(10-22)8-13-4-5-15(26-2)9-18(13)24-20/h3-9H,11H2,1-2H3,(H,23,25)