methyl 7-sulfanylidene-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: methyl 7-sulfanylidene-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: methyl 7-thioxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 7-sulfanylidene-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid methyl ester IUPAC Name: methyl 7-sulfanylidene-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 7-thioxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid methyl ester Formula: C9H6F3N3O2S MolecularWeight: 277.22305

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNN2C1=NC(=CC2=S)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CNN2C1=NC(=CC2=S)C(F)(F)F

InChI

InChI=1S/C9H6F3N3O2S/c1-17-8(16)4-3-13-15-6(18)2-5(9(10,11)12)14-7(4)15/h2-3,13H,1H3