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Synthesis, Molecular Characterization, Biological and Computational Studies of New Molecule Contain 1,2,4-Triazole, and Coumarin Bearing 6,8-Dimethyl
Biointerface Research in Applied Chemistry
Synthesis 4-(((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-6,8-dimethyl-coumarin and spectral analysis is carried out using the FT-IR and NMR with the help of quantum chemical calculation by DFT/6-311(d,p). The molecular electrostatic potentials and frontier molecular orbitals of the title compound were carried out at the B3LYP/6-311G(d,p) level of theory. Antimicrobial, antioxidant activity, and In vitro cytotoxic for cell lines were observed. The result shows that thedoi:10.33263/briac121.809823 fatcat:ptdf6o2yxbentaz2cq2eyb3olq