3-[(4E)-5-oxidanylidene-4-(thiophen-2-ylmethylidene)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4E)-5-oxidanylidene-4-(thiophen-2-ylmethylidene)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-5-oxo-4-(2-thienylmethylene)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-5-oxo-4-(thiophen-2-ylmethylidene)-3-(trifluoromethyl)-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-5-oxo-4-(thiophen-2-ylmethylidene)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-5-keto-4-(2-thenylidene)-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzoic acid Formula: C16H9F3N2O3S MolecularWeight: 366.31447

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=CS3)C(=N2)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)/C(=C/C3=CC=CS3)/C(=N2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H9F3N2O3S/c17-16(18,19)13-12(8-11-5-2-6-25-11)14(22)21(20-13)10-4-1-3-9(7-10)15(23)24/h1-8H,(H,23,24)/b12-8+