2-(3-chloranyl-4-fluoranyl-phenyl)-5-thiophen-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)-5-thiophen-2-yl-pyrazole-3-carboxylic acid Openeye Name: 2-(3-chloro-4-fluoro-phenyl)-5-(2-thienyl)pyrazole-3-carboxylic acid CAS Name: 2-(3-chloro-4-fluorophenyl)-5-thiophen-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 2-(3-chloro-4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acid Traditional Name: 2-(3-chloro-4-fluoro-phenyl)-5-(2-thienyl)pyrazole-3-carboxylic acid Formula: C14H8ClFN2O2S MolecularWeight: 322.741923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8ClFN2O2S/c15-9-6-8(3-4-10(9)16)18-12(14(19)20)7-11(17-18)13-2-1-5-21-13/h1-7H,(H,19,20)