CAS 743444-27-1

5-[(2-Fluorophenoxy)methyl]-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione

Description:

5-[(2-Fluorophenoxy)methyl]-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione is a chemical compound characterized by its triazole core, which is a five-membered ring containing three nitrogen atoms. This compound features a phenyl group and a fluorophenoxy group, contributing to its potential biological activity and lipophilicity. The presence of the thione functional group (a sulfur atom double-bonded to a carbon atom) suggests that it may exhibit unique reactivity and properties, such as potential antioxidant or antimicrobial activities. The fluorine atom in the 2-fluorophenoxy moiety can enhance the compound's metabolic stability and influence its interaction with biological targets. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural features that could interact with various biological pathways. Its specific applications and efficacy would depend on further studies, including pharmacological evaluations and toxicity assessments.

Formula: C₁₅H₁₂FN₃OS

InChI: InChI=1S/C15H12FN3OS/c16-12-8-4-5-9-13(12)20-10-14-17-18-15(21)19(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)

InChI key: InChIKey=GJWDTLRKWGLMBS-UHFFFAOYSA-N

SMILES: C(OC1=C(F)C=CC=C1)C=2N(C(=S)NN2)C3=CC=CC=C3

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 5-[(2-fluorophenoxy)methyl]-2,4-dihydro-4-phenyl-
• 5-[(2-Fluorophenoxy)methyl]-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione