2-[3-(4-methylphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[3-(4-methylphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[5-hydroxy-3-(p-tolyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]thiazole-4-carboxylic acid CAS Name: 2-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-thiazolecarboxylic acid IUPAC Name: 2-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[5-hydroxy-3-(p-tolyl)-5-(trifluoromethyl)-2-pyrazolin-1-yl]thiazole-4-carboxylic acid Formula: C15H12F3N3O3S MolecularWeight: 371.33429

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C3=NC(=CS3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C3=NC(=CS3)C(=O)O

InChI

InChI=1S/C15H12F3N3O3S/c1-8-2-4-9(5-3-8)10-6-14(24,15(16,17)18)21(20-10)13-19-11(7-25-13)12(22)23/h2-5,7,24H,6H2,1H3,(H,22,23)