A novel triazole-thione-Schiff base, TMAT, and another, DMTMAT, were synthesized and evaluated for their corrosion inhibition efficiency on carbon steel in 1 M HCl solution. The study used experimental and computational methods to assess their effectiveness. TMAT and DMTMAT showed high inhibition efficiencies of 91.1% and 94.0%, respectively, at 1×10⁻³ M concentrations. The results indicated that these compounds adsorb strongly on the metal surface, forming a protective layer that reduces corrosion. Electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP) experiments confirmed that the inhibition efficiency increases with inhibitor concentration, following the Langmuir adsorption isotherm model. Thermodynamic calculations showed that the adsorption process is spontaneous, with negative free energy values of -36.7 and -38.5 kJ/mol for TMAT and DMTMAT, respectively. Molecular dynamics (MD) simulations revealed that the inhibitor molecules are parallel to the metal surface, confirming their interaction with the surface. The DMTMAT inhibitor was more effective than TMAT due to its additional dimethylamino group, which enhances adsorption and corrosion resistance. The study also demonstrated that the inhibitors act through both physisorption and chemisorption mechanisms, with the latter being more significant. The results showed that DMTMAT provides better protection than TMAT, as evidenced by higher inhibition efficiencies and lower corrosion rates. The findings suggest that these Schiff bases are promising candidates for corrosion inhibition in acidic environments.A novel triazole-thione-Schiff base, TMAT, and another, DMTMAT, were synthesized and evaluated for their corrosion inhibition efficiency on carbon steel in 1 M HCl solution. The study used experimental and computational methods to assess their effectiveness. TMAT and DMTMAT showed high inhibition efficiencies of 91.1% and 94.0%, respectively, at 1×10⁻³ M concentrations. The results indicated that these compounds adsorb strongly on the metal surface, forming a protective layer that reduces corrosion. Electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP) experiments confirmed that the inhibition efficiency increases with inhibitor concentration, following the Langmuir adsorption isotherm model. Thermodynamic calculations showed that the adsorption process is spontaneous, with negative free energy values of -36.7 and -38.5 kJ/mol for TMAT and DMTMAT, respectively. Molecular dynamics (MD) simulations revealed that the inhibitor molecules are parallel to the metal surface, confirming their interaction with the surface. The DMTMAT inhibitor was more effective than TMAT due to its additional dimethylamino group, which enhances adsorption and corrosion resistance. The study also demonstrated that the inhibitors act through both physisorption and chemisorption mechanisms, with the latter being more significant. The results showed that DMTMAT provides better protection than TMAT, as evidenced by higher inhibition efficiencies and lower corrosion rates. The findings suggest that these Schiff bases are promising candidates for corrosion inhibition in acidic environments.