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

Systemtic Name: 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 1-[4-(4-bromophenyl)thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 1-[4-(4-bromophenyl)-2-thiazolyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 1-[4-(4-bromophenyl)thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C14H7BrF3N3O2S MolecularWeight: 418.18849

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC(=N2)N3C(=C(C=N3)C(=O)O)C(F)(F)F)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CSC(=N2)N3C(=C(C=N3)C(=O)O)C(F)(F)F)Br

InChI

InChI=1S/C14H7BrF3N3O2S/c15-8-3-1-7(2-4-8)10-6-24-13(20-10)21-11(14(16,17)18)9(5-19-21)12(22)23/h1-6H,(H,22,23)