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

Systemtic Name: N-(furan-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-(2-furylmethyl)-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-(2-furanylmethyl)-2-[[2-(trifluoromethyl)phenyl]thio]-4-quinolinecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]sulfanylquinoline-4-carboxamide Traditional Name: N-(2-furfuryl)-2-[[2-(trifluoromethyl)phenyl]thio]cinchoninamide Formula: C22H15F3N2O2S MolecularWeight: 428.42691

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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=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)SC3=CC=CC=C3C(F)(F)F)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C22H15F3N2O2S/c23-22(24,25)17-8-2-4-10-19(17)30-20-12-16(15-7-1-3-9-18(15)27-20)21(28)26-13-14-6-5-11-29-14/h1-12H,13H2,(H,26,28)