CAS 733031-05-5

2-[[5-(2-Fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid

Description:

2-[[5-(2-Fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid is a chemical compound characterized by its complex structure, which includes a triazole ring and a thiol group linked to an acetic acid moiety. This compound features two fluorophenyl groups, which contribute to its lipophilicity and potential biological activity. The presence of the triazole ring suggests potential applications in pharmaceuticals, particularly as antifungal or antimicrobial agents, due to the known efficacy of triazole derivatives in these areas. The thiol group may also impart unique reactivity, allowing for further chemical modifications or interactions with biological targets. Additionally, the compound's solubility and stability can be influenced by the presence of the fluorine atoms, which can enhance its metabolic stability and bioavailability. Overall, this compound's unique structural features make it a subject of interest in medicinal chemistry and drug development.

Formula: C₁₆H₁₁F₂N₃O₂S

InChI: InChI=1S/C16H11F2N3O2S/c17-10-5-7-11(8-6-10)21-15(12-3-1-2-4-13(12)18)19-20-16(21)24-9-14(22)23/h1-8H,9H2,(H,22,23)

InChI key: InChIKey=QJNLVEQHAPFSMY-UHFFFAOYSA-N

SMILES: S(CC(O)=O)C=1N(C(=NN1)C2=C(F)C=CC=C2)C3=CC=C(F)C=C3

Synonyms:

• 2-[[5-(2-Fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid
• Acetic acid, 2-[[5-(2-fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-
• Acetic acid, [[5-(2-fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]-