CAS 863669-70-9

Ethyl 4-(2-furanylmethyl)-4,5-dihydro-5-thioxo-1H-1,2,4-triazole-3-acetate

Description:

Ethyl 4-(2-furanylmethyl)-4,5-dihydro-5-thioxo-1H-1,2,4-triazole-3-acetate, identified by its CAS number 863669-70-9, is a chemical compound that belongs to the class of triazoles, which are five-membered heterocyclic compounds containing three nitrogen atoms. This particular compound features a thioxo group, which contributes to its reactivity and potential biological activity. The presence of the furan moiety suggests that it may exhibit interesting electronic properties and could participate in various chemical reactions, including nucleophilic substitutions or cycloadditions. Ethyl acetate as an ester functional group indicates that it may have applications in organic synthesis or as a potential pharmaceutical intermediate. The compound's structure suggests it may possess antimicrobial or antifungal properties, which are common in triazole derivatives. However, specific biological activities, solubility, stability, and other physical properties would require empirical investigation to fully characterize its potential applications in medicinal chemistry or other fields.

Formula: C₁₁H₁₃N₃O₃S

InChI: InChI=1S/C11H13N3O3S/c1-2-16-10(15)6-9-12-13-11(18)14(9)7-8-4-3-5-17-8/h3-5H,2,6-7H2,1H3,(H,13,18)

InChI key: InChIKey=NBTKZLOJFNOQCA-UHFFFAOYSA-N

SMILES: C(N1C(CC(OCC)=O)=NNC1=S)C2=CC=CO2

Synonyms:

• Ethyl 4-(2-furanylmethyl)-4,5-dihydro-5-thioxo-1H-1,2,4-triazole-3-acetate
• 1H-1,2,4-Triazole-3-acetic acid, 4-(2-furanylmethyl)-4,5-dihydro-5-thioxo-, ethyl ester