2-pyridin-4-yl-N-[4,5,6-tris(fluoranyl)-1,3-benzothiazol-2-yl]quinoline-4-carboxamide

Systemtic Name: 2-pyridin-4-yl-N-[4,5,6-tris(fluoranyl)-1,3-benzothiazol-2-yl]quinoline-4-carboxamide Openeye Name: 2-(4-pyridyl)-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-pyridin-4-yl-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-pyridin-4-yl-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Traditional Name: 2-(4-pyridyl)-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)cinchoninamide Formula: C22H11F3N4OS MolecularWeight: 436.40915

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NC4=NC5=C(S4)C=C(C(=C5F)F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NC4=NC5=C(S4)C=C(C(=C5F)F)F

InChI

InChI=1S/C22H11F3N4OS/c23-14-10-17-20(19(25)18(14)24)28-22(31-17)29-21(30)13-9-16(11-5-7-26-8-6-11)27-15-4-2-1-3-12(13)15/h1-10H,(H,28,29,30)