Synthesis, Structure Elucidation and Antimicrobial Evaluation of some Novel Triazolo[3,4-b]thiadiazole and Triazolo[3,4-b]thiadiazine Derivatives

Resumen

Fused triazoles derivatives have been prepared from the reaction of the starting material 4 with some electrophilic
reagents. The structures of all new compounds have been
established on the basis of elemental analysis and spectroscopic
data. All the synthesized compounds have been screened for their antibacterial activity. 1,2,4-Triazole derivatives 4, 14 and 15 exhibited a good antibacterial activity compared with the standard antibiotic Gentamycin. The tautomeric equilibria of the compounds 4 and 15 thione and thiol form were studied by quantum chemical calculations semi-empirical (AM1, MNDO and PM3) and ab initio level (RHF/3-21G* and RHF/6-31G*) in the gas phase.