Synthesis, experimental, theoretical characterization and biological activities of 4-ethyl-5-(2-hydroxyphenyl)-2H-1,2,4-triazole-3(4H)-thione

Article abstract of DOI:10.1016/j.saa.2012.12.052

This work presents the characterization of 4-ethyl-5-(2-hydroxyphenyl)-2H- 1,2,4-triazole-3(4H)-thione (III) by quantum chemical calculations and spectral techniques. The molecular geometry, vibrational frequencies and gauge including atomic orbital (GIAO