2,2,2-tris(fluoranyl)ethyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylethanoate Openeye Name: 2,2,2-trifluoroethyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[[4-(1-pyrazolyl)-2-pyrimidinyl]thio]acetic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-pyrazol-1-ylpyrimidin-2-yl)thio]acetic acid 2,2,2-trifluoroethyl ester Formula: C11H9F3N4O2S MolecularWeight: 318.27497

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=NC(=NC=C2)SCC(=O)OCC(F)(F)F

Isomeric SMILES

C1=CN(N=C1)C2=NC(=NC=C2)SCC(=O)OCC(F)(F)F

InChI

InChI=1S/C11H9F3N4O2S/c12-11(13,14)7-20-9(19)6-21-10-15-4-2-8(17-10)18-5-1-3-16-18/h1-5H,6-7H2