ethyl 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-[3-(trifluoromethyl)-1-pyrazolyl]-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C12H11F3N4O2S MolecularWeight: 332.30155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11F3N4O2S/c1-2-21-10(20)7-22-11-16-5-3-9(17-11)19-6-4-8(18-19)12(13,14)15/h3-6H,2,7H2,1H3