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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CSC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C(F)(F)F

InChI

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