2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Systemtic Name: 2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 2-(methylthio)-5,7-bis(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 2-(methylthio)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C10H5F6N3O2S MolecularWeight: 345.221019

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN2C(=CC(=NC2=C1C(=O)O)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CSC1=NN2C(=CC(=NC2=C1C(=O)O)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C10H5F6N3O2S/c1-22-7-5(8(20)21)6-17-3(9(11,12)13)2-4(10(14,15)16)19(6)18-7/h2H,1H3,(H,20,21)