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

Systemtic Name: N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-2-(4-pyridyl)cinchoninamide Formula: C23H14F2N4OS2 MolecularWeight: 464.510266

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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=C5)SC(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)SC(F)F

InChI

InChI=1S/C23H14F2N4OS2/c24-22(25)31-14-5-6-18-20(11-14)32-23(28-18)29-21(30)16-12-19(13-7-9-26-10-8-13)27-17-4-2-1-3-15(16)17/h1-12,22H,(H,28,29,30)