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

Systemtic Name: 7-sulfanylidene-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 7-thioxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 7-sulfanylidene-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid IUPAC Name: 7-sulfanylidene-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 7-thioxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C8H4F3N3O2S MolecularWeight: 263.19647

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C2C(=CNN2C1=S)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=C(N=C2C(=CNN2C1=S)C(=O)O)C(F)(F)F

InChI

InChI=1S/C8H4F3N3O2S/c9-8(10,11)4-1-5(17)14-6(13-4)3(2-12-14)7(15)16/h1-2,12H,(H,15,16)