2-(4-bromophenyl)-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: 2-(4-bromophenyl)-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)quinoline-4-carboxamide Openeye Name: 2-(4-bromophenyl)-N-(3-cyano-4,5-dimethyl-2-thienyl)quinoline-4-carboxamide CAS Name: 2-(4-bromophenyl)-N-(3-cyano-4,5-dimethyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: 2-(4-bromophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(4-bromophenyl)-N-(3-cyano-4,5-dimethyl-2-thienyl)cinchoninamide Formula: C23H16BrN3OS MolecularWeight: 462.36164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C23H16BrN3OS/c1-13-14(2)29-23(19(13)12-25)27-22(28)18-11-21(15-7-9-16(24)10-8-15)26-20-6-4-3-5-17(18)20/h3-11H,1-2H3,(H,27,28)