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

Systemtic Name: 2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: 2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 2-(methylthio)-5,7-bis(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxylate IUPAC Name: 2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 2-(methylthio)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Formula: C10H4F6N3O2S- MolecularWeight: 344.213079

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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)/p-1