2-[2,4-bis(fluoranyl)phenyl]sulfanyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]sulfanyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide Openeye Name: 2-(2,4-difluorophenyl)sulfanyl-N-(3-pyridylmethyl)quinoline-4-carboxamide CAS Name: 2-[(2,4-difluorophenyl)thio]-N-(3-pyridinylmethyl)-4-quinolinecarboxamide IUPAC Name: 2-(2,4-difluorophenyl)sulfanyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide Traditional Name: 2-[(2,4-difluorophenyl)thio]-N-(3-pyridylmethyl)cinchoninamide Formula: C22H15F2N3OS MolecularWeight: 407.435806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)SC3=C(C=C(C=C3)F)F)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)SC3=C(C=C(C=C3)F)F)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C22H15F2N3OS/c23-15-7-8-20(18(24)10-15)29-21-11-17(16-5-1-2-6-19(16)27-21)22(28)26-13-14-4-3-9-25-12-14/h1-12H,13H2,(H,26,28)