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

Systemtic Name: 2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[3-(2-thienyl)-5-(trifluoromethyl)pyrazol-1-yl]thiazole-4-carboxylic acid CAS Name: 2-[3-thiophen-2-yl-5-(trifluoromethyl)-1-pyrazolyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[3-thiophen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[3-(2-thienyl)-5-(trifluoromethyl)pyrazol-1-yl]thiazole-4-carboxylic acid Formula: C12H6F3N3O2S2 MolecularWeight: 345.32015

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H6F3N3O2S2/c13-12(14,15)9-4-6(8-2-1-3-21-8)17-18(9)11-16-7(5-22-11)10(19)20/h1-5H,(H,19,20)