6-bromanyl-N-(2-methylsulfanylphenyl)-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-(2-methylsulfanylphenyl)-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: 6-bromo-N-(2-methylsulfanylphenyl)-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-[2-(methylthio)phenyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(2-methylsulfanylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: 6-bromo-N-[2-(methylthio)phenyl]-2-(4-pyridyl)cinchoninamide Formula: C22H16BrN3OS MolecularWeight: 450.35094

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C22H16BrN3OS/c1-28-21-5-3-2-4-19(21)26-22(27)17-13-20(14-8-10-24-11-9-14)25-18-7-6-15(23)12-16(17)18/h2-13H,1H3,(H,26,27)