3,3,3-tris(fluoranyl)propyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: 3,3,3-tris(fluoranyl)propyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylethanoate Openeye Name: 3,3,3-trifluoropropyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[[4-(1-pyrazolyl)-2-pyrimidinyl]thio]acetic acid 3,3,3-trifluoropropyl ester IUPAC Name: 3,3,3-trifluoropropyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-pyrazol-1-ylpyrimidin-2-yl)thio]acetic acid 3,3,3-trifluoropropyl ester Formula: C12H11F3N4O2S MolecularWeight: 332.30155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11F3N4O2S/c13-12(14,15)3-7-21-10(20)8-22-11-16-5-2-9(18-11)19-6-1-4-17-19/h1-2,4-6H,3,7-8H2