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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(F)(F)F)OC(=O)CSC1=NC=CC(=N1)N2C=CC=N2

Isomeric SMILES

CC(C(F)(F)F)OC(=O)CSC1=NC=CC(=N1)N2C=CC=N2

InChI

InChI=1S/C12H11F3N4O2S/c1-8(12(13,14)15)21-10(20)7-22-11-16-5-3-9(18-11)19-6-2-4-17-19/h2-6,8H,7H2,1H3