CAS 749920-40-9

2-[[5-(2-Methyl-3-furanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetic acid

Description:

2-[[5-(2-Methyl-3-furanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetic acid, with the CAS number 749920-40-9, is a chemical compound characterized by its unique structure that includes a triazole ring, a thioether linkage, and an acetic acid functional group. This compound features a furan moiety substituted with a methyl group, contributing to its potential biological activity. The presence of the triazole ring suggests possible applications in medicinal chemistry, particularly in the development of antifungal or antimicrobial agents, as triazoles are known for their pharmacological properties. Additionally, the phenyl group may enhance lipophilicity, influencing the compound's solubility and permeability. The thioether linkage can also play a role in the compound's reactivity and stability. Overall, this compound's structural characteristics indicate a potential for diverse applications in pharmaceuticals and agrochemicals, warranting further investigation into its biological activity and therapeutic potential.

Formula: C₁₅H₁₃N₃O₃S

InChI: InChI=1S/C15H13N3O3S/c1-10-12(7-8-21-10)14-16-17-15(22-9-13(19)20)18(14)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,19,20)

InChI key: InChIKey=FQFZXGQHTAWYDN-UHFFFAOYSA-N

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

Synonyms:

• 2-[[5-(2-Methyl-3-furanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetic acid
• Acetic acid, [[5-(2-methyl-3-furanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-
• Acetic acid, 2-[[5-(2-methyl-3-furanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-