N-(2-bromophenyl)-2-(3-cyano-6,8-dimethyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-bromophenyl)-2-(3-cyano-6,8-dimethyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromophenyl)-2-[(3-cyano-6,8-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2-bromophenyl)-2-[(3-cyano-6,8-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2-bromophenyl)-2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2-bromophenyl)-2-[(3-cyano-6,8-dimethyl-2-quinolyl)thio]acetamide Formula: C20H16BrN3OS MolecularWeight: 426.32954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=CC=CC=C3Br)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=CC=CC=C3Br)C#N)C

InChI

InChI=1S/C20H16BrN3OS/c1-12-7-13(2)19-14(8-12)9-15(10-22)20(24-19)26-11-18(25)23-17-6-4-3-5-16(17)21/h3-9H,11H2,1-2H3,(H,23,25)