N-(2-bromophenyl)-2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-bromophenyl)-2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromophenyl)-2-[(3-cyano-5,8-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2-bromophenyl)-2-[(3-cyano-5,8-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2-bromophenyl)-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2-bromophenyl)-2-[(3-cyano-5,8-dimethyl-2-quinolyl)thio]acetamide Formula: C20H16BrN3OS MolecularWeight: 426.32954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=NC2=C(C=C1)C)SCC(=O)NC3=CC=CC=C3Br)C#N

Isomeric SMILES

CC1=C2C=C(C(=NC2=C(C=C1)C)SCC(=O)NC3=CC=CC=C3Br)C#N

InChI

InChI=1S/C20H16BrN3OS/c1-12-7-8-13(2)19-15(12)9-14(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)