N-(2-bromanyl-4-methyl-phenyl)-2-(3-cyano-6,7-dimethyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-(3-cyano-6,7-dimethyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[(3-cyano-6,7-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[(3-cyano-6,7-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(3-cyano-6,7-dimethyl-2-quinolyl)thio]acetamide Formula: C21H18BrN3OS MolecularWeight: 440.35612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC(=C(C=C3C=C2C#N)C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC(=C(C=C3C=C2C#N)C)C)Br

InChI

InChI=1S/C21H18BrN3OS/c1-12-4-5-18(17(22)6-12)24-20(26)11-27-21-16(10-23)9-15-7-13(2)14(3)8-19(15)25-21/h4-9H,11H2,1-3H3,(H,24,26)