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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=N4

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=N4

InChI

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