Tautomerism aspect of thione-thiol combined with spectral investigation of some 4-amino-5-methyl-1,2,4-triazole-3-thione Schiff's bases

Optimized molecular structure and the HOMO-LUMO plot calculated by the hybrid B3LYP/6-311G++(d,p) method for 4-(4-Chlorobenzylidene)amino-5-methyl-1,2,4-triazole-3-thione 3a.202