(2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate

Systemtic Name: (2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate Openeye Name: (2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate CAS Name: 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid [2-(methylthio)-4-oxo-1H-pyrimidin-6-yl]methyl ester IUPAC Name: (2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate Traditional Name: 2-[3-(trifluoromethyl)anilino]nicotinic acid [4-keto-2-(methylthio)-1H-pyrimidin-6-yl]methyl ester Formula: C19H15F3N4O3S MolecularWeight: 436.40761

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C=C(N1)COC(=O)C2=C(N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CSC1=NC(=O)C=C(N1)COC(=O)C2=C(N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H15F3N4O3S/c1-30-18-25-13(9-15(27)26-18)10-29-17(28)14-6-3-7-23-16(14)24-12-5-2-4-11(8-12)19(20,21)22/h2-9H,10H2,1H3,(H,23,24)(H,25,26,27)