1-[6-(4-acetamidophenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-ethyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-[6-(4-acetamidophenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-ethyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 1-[6-(4-acetamidophenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-ethyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 1-[6-(4-acetamidophenoxy)-2-(methylthio)-4-pyrimidinyl]-3-ethyl-5-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-[6-(4-acetamidophenoxy)-2-methylsulfanylpyrimidin-4-yl]-3-ethyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 1-[6-(4-acetamidophenoxy)-2-(methylthio)pyrimidin-4-yl]-3-ethyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C20H18F3N5O4S MolecularWeight: 481.44823

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C(=O)O)C(F)(F)F)C2=CC(=NC(=N2)SC)OC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCC1=NN(C(=C1C(=O)O)C(F)(F)F)C2=CC(=NC(=N2)SC)OC3=CC=C(C=C3)NC(=O)C

InChI

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