methyl 2-[[2-methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[2-methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carbonyl]amino]benzoate CAS Name: 2-[[[2-(methylthio)-4-(trifluoromethyl)-5-pyrimidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carbonyl]amino]benzoate Traditional Name: 2-[[2-(methylthio)-4-(trifluoromethyl)pyrimidine-5-carbonyl]amino]benzoic acid methyl ester Formula: C15H12F3N3O3S MolecularWeight: 371.33429

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=CN=C(N=C2C(F)(F)F)SC

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=CN=C(N=C2C(F)(F)F)SC

InChI

InChI=1S/C15H12F3N3O3S/c1-24-13(23)8-5-3-4-6-10(8)20-12(22)9-7-19-14(25-2)21-11(9)15(16,17)18/h3-7H,1-2H3,(H,20,22)