N-(pyridin-3-ylmethyl)-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-(pyridin-3-ylmethyl)-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-(3-pyridylmethyl)-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-(3-pyridinylmethyl)-2-[[2-(trifluoromethyl)phenyl]thio]-4-quinolinecarboxamide IUPAC Name: N-(pyridin-3-ylmethyl)-2-[2-(trifluoromethyl)phenyl]sulfanylquinoline-4-carboxamide Traditional Name: N-(3-pyridylmethyl)-2-[[2-(trifluoromethyl)phenyl]thio]cinchoninamide Formula: C23H16F3N3OS MolecularWeight: 439.45285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)SC3=CC=CC=C3C(F)(F)F)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)SC3=CC=CC=C3C(F)(F)F)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H16F3N3OS/c24-23(25,26)18-8-2-4-10-20(18)31-21-12-17(16-7-1-3-9-19(16)29-21)22(30)28-14-15-6-5-11-27-13-15/h1-13H,14H2,(H,28,30)