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

Systemtic Name: 5-propyl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxylic acid Openeye Name: 5-propyl-1-[4-[3-(trifluoromethyl)phenyl]thiazol-2-yl]pyrazole-4-carboxylic acid CAS Name: 5-propyl-1-[4-[3-(trifluoromethyl)phenyl]-2-thiazolyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-propyl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxylic acid Traditional Name: 5-propyl-1-[4-[3-(trifluoromethyl)phenyl]thiazol-2-yl]pyrazole-4-carboxylic acid Formula: C17H14F3N3O2S MolecularWeight: 381.37217

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=NC(=CS2)C3=CC(=CC=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

CCCC1=C(C=NN1C2=NC(=CS2)C3=CC(=CC=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H14F3N3O2S/c1-2-4-14-12(15(24)25)8-21-23(14)16-22-13(9-26-16)10-5-3-6-11(7-10)17(18,19)20/h3,5-9H,2,4H2,1H3,(H,24,25)