2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide

Systemtic Name: 2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide Openeye Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide CAS Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide Traditional Name: 2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-N-[2-(trifluoromethyl)phenyl]cinchoninamide Formula: C22H15F3N4O2S MolecularWeight: 456.44031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C22H15F3N4O2S/c1-12-10-18(30)29-21(26-12)32-19-11-14(13-6-2-4-8-16(13)27-19)20(31)28-17-9-5-3-7-15(17)22(23,24)25/h2-11H,1H3,(H,28,31)(H,26,29,30)