6-bromanyl-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: 6-bromo-N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: 6-bromo-N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(2-pyridyl)cinchoninamide Formula: C22H15BrN4OS MolecularWeight: 463.3497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=N4)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=N4)C

InChI

InChI=1S/C22H15BrN4OS/c1-12-13(2)29-22(17(12)11-24)27-21(28)16-10-20(19-5-3-4-8-25-19)26-18-7-6-14(23)9-15(16)18/h3-10H,1-2H3,(H,27,28)