ethyl 1-[6-(4-acetamidophenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[6-(4-acetamidophenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[6-(4-acetamidophenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[6-(4-acetamidophenoxy)-2-(methylthio)-4-pyrimidinyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-acetamidophenoxy)-2-methylsulfanylpyrimidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[6-(4-acetamidophenoxy)-2-(methylthio)pyrimidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C20H18F3N5O4S MolecularWeight: 481.44823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=NC(=N2)SC)OC3=CC=C(C=C3)NC(=O)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=NC(=N2)SC)OC3=CC=C(C=C3)NC(=O)C)C(F)(F)F

InChI

InChI=1S/C20H18F3N5O4S/c1-4-31-18(30)14-10-24-28(17(14)20(21,22)23)15-9-16(27-19(26-15)33-3)32-13-7-5-12(6-8-13)25-11(2)29/h5-10H,4H2,1-3H3,(H,25,29)