methyl [5-sulfanylidene-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-3-yl] carbonate

Systemtic Name: methyl [5-sulfanylidene-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-3-yl] carbonate Openeye Name: methyl [5-thioxo-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-3-yl] carbonate CAS Name: carbonic acid methyl [5-sulfanylidene-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-3-yl] ester IUPAC Name: methyl [5-sulfanylidene-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-3-yl] carbonate Traditional Name: carbonic acid methyl [5-thioxo-7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-3-yl] ester Formula: C9H6F3N3O3S MolecularWeight: 293.22245

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC1=CNN2C1=NC(=S)C=C2C(F)(F)F

Isomeric SMILES

COC(=O)OC1=CNN2C1=NC(=S)C=C2C(F)(F)F

InChI

InChI=1S/C9H6F3N3O3S/c1-17-8(16)18-4-3-13-15-5(9(10,11)12)2-6(19)14-7(4)15/h2-3,13H,1H3