5-ethyl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 5-ethyl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxylic acid Openeye Name: 5-ethyl-1-[4-[3-(trifluoromethyl)phenyl]thiazol-2-yl]pyrazole-4-carboxylic acid CAS Name: 5-ethyl-1-[4-[3-(trifluoromethyl)phenyl]-2-thiazolyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-ethyl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxylic acid Traditional Name: 5-ethyl-1-[4-[3-(trifluoromethyl)phenyl]thiazol-2-yl]pyrazole-4-carboxylic acid Formula: C16H12F3N3O2S MolecularWeight: 367.34559

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=NC(=CS2)C3=CC(=CC=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

CCC1=C(C=NN1C2=NC(=CS2)C3=CC(=CC=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H12F3N3O2S/c1-2-13-11(14(23)24)7-20-22(13)15-21-12(8-25-15)9-4-3-5-10(6-9)16(17,18)19/h3-8H,2H2,1H3,(H,23,24)