[HTML][HTML] A density functional theory study of the molecular structure, reactivity, and spectroscopic properties of 2-(2-mercaptophenyl)-1-azaazulene tautomers and …
SH El-Demerdash, SA Halim, AM El-Nahas… - Scientific Reports, 2023 - nature.com
Five stable tautomer and rotamers of the 2-(2-Mercaptophenyl)-1-azaazulene (thiol, thione,
R1, R2, and R3) molecules were studied using density functional theory (DFT). The …
R1, R2, and R3) molecules were studied using density functional theory (DFT). The …
Synthesis, characterization, anti-tuberculosis activity and molecular modeling studies of thiourea derivatives bearing aminoguanidine moiety
The emergence of drug-resistant Mycobacterium tuberculosis strains has posed a driving
demand in the search for more effective treatment regimens for tuberculosis. In the present …
demand in the search for more effective treatment regimens for tuberculosis. In the present …
[HTML][HTML] Synthesis and characterization of transition metal complexes of 4-Amino-5-pyridyl-4H-1, 2, 4-triazole-3-thiol
Abstract Series of coordination complexes of Ni (II), Cu (II), Zn (II), Cd (II) and Sn (II) metal
with 4-amino-5-(pyridyl)-4H-1, 2, 4-triazole-3-thiol, as a ligand has been successfully …
with 4-amino-5-(pyridyl)-4H-1, 2, 4-triazole-3-thiol, as a ligand has been successfully …
Current developments in the syntheses of 1, 2, 4-triazole compounds
HZ Zhang, G LV Damu, GX Cai… - Current Organic …, 2014 - ingentaconnect.com
Heterocyclic 1, 2, 4-triazole derivatives possess unusually spacious potentiality as medicinal
agents, agricultural chemicals, functional materials, ionic liquids, supramolecular catalysts …
agents, agricultural chemicals, functional materials, ionic liquids, supramolecular catalysts …
Identifying and explaining the regioselectivity of alkylation of 1, 2, 4-triazole-3-thiones using NMR, GIAO and DFT methods
The regioselectivity of the alkylation of four 1, 2, 4-triazole-3-thiones with eight different
organic halides was determined by the comparison of experimentally observed NMR …
organic halides was determined by the comparison of experimentally observed NMR …
Thiol–thione tautomeric analysis, spectroscopic (FT-IR, Laser-Raman, NMR and UV–vis) properties and DFT computations of 5-(3-pyridyl)-4H-1, 2, 4-triazole-3-thiol …
Abstract In this study, the 5-(3-pyridyl)-4H-1, 2, 4-triazole-3-thiol molecule (C 7 H 6 N 4 S)
molecule has been characterized by using FT-IR, Laser-Raman, NMR and UV–vis …
molecule has been characterized by using FT-IR, Laser-Raman, NMR and UV–vis …
Synthesis and biological activities of thio-triazole derivatives as novel potential antibacterial and antifungal agents
QP Wang, JQ Zhang, GLV Damu, K Wan… - Science China …, 2012 - Springer
A series of novel thio-triazole derivatives including thiols, thioethers and thiones as well as
some corresponding triazolium compounds were conveniently and efficiently synthesized …
some corresponding triazolium compounds were conveniently and efficiently synthesized …
Synergistic fungicidal mixtures for fungal control in cereals
DG Ouimette, JT Mathieson, GM Kemmitt - US Patent 10,172,354, 2019 - Google Patents
(57) ABSTRACT A fungicidal composition containing a fungicidally effective amount of (a)
the compound of Formula I,(35, 65, 7R, 8R) 8-benzyl-3-(3-((isobutyryloxy) methoxy)-4 …
the compound of Formula I,(35, 65, 7R, 8R) 8-benzyl-3-(3-((isobutyryloxy) methoxy)-4 …
Synergistic fungicidal mixtures for fungal control in cereals
WJ Owen, C Yao - US Patent 9,955,690, 2018 - Google Patents
A fungicidal composition containing a fungicidally effective amount of a compound of
Formula IV and at least one fungicide selected from the group consisting of epoxiconazole …
Formula IV and at least one fungicide selected from the group consisting of epoxiconazole …
[HTML][HTML] Experimental and computational studies of tautomerism pyridine carbonyl thiosemicarbazide derivatives
Tautomerism is one of the most important phenomena to consider when designing
biologically active molecules. In this work, we use NMR spectroscopy, IR, and X-ray analysis …
biologically active molecules. In this work, we use NMR spectroscopy, IR, and X-ray analysis …