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

Systemtic Name: 2-[3-(furan-2-yl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[3-(2-furyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]thiazole-4-carboxylic acid CAS Name: 2-[3-(2-furanyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-thiazolecarboxylic acid IUPAC Name: 2-[3-(furan-2-yl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[3-(2-furyl)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]thiazole-4-carboxylic acid Formula: C12H8F3N3O4S MolecularWeight: 347.26983

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C(F)(F)F)O)C2=NC(=CS2)C(=O)O)C3=CC=CO3

Isomeric SMILES

C1C(=NN(C1(C(F)(F)F)O)C2=NC(=CS2)C(=O)O)C3=CC=CO3

InChI

InChI=1S/C12H8F3N3O4S/c13-12(14,15)11(21)4-6(8-2-1-3-22-8)17-18(11)10-16-7(5-23-10)9(19)20/h1-3,5,21H,4H2,(H,19,20)