sodium 4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate

Systemtic Name: sodium 4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate Openeye Name: sodium 4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate CAS Name: sodium 4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]benzoate IUPAC Name: sodium 4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate Traditional Name: sodium 4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate Formula: C15H8F3N2NaO2S MolecularWeight: 360.2862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)[O-])C(F)(F)F.[Na+]

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)[O-])C(F)(F)F.[Na+]

InChI

InChI=1S/C15H9F3N2O2S.Na/c16-15(17,18)13-8-11(12-2-1-7-23-12)20(19-13)10-5-3-9(4-6-10)14(21)22;/h1-8H,(H,21,22);/q;+1/p-1