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CAS 680216-99-3

:

2-Chloro-5-[5-(methylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]pyridine

Description:
2-Chloro-5-[5-(methylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]pyridine, with CAS number 680216-99-3, is a chemical compound characterized by its complex structure, which includes a pyridine ring and a triazole moiety. This compound features a chlorine atom and a methylthio group, contributing to its unique chemical properties. The presence of a trifluoromethyl group enhances its lipophilicity and may influence its biological activity. Typically, compounds of this nature are investigated for their potential applications in pharmaceuticals, particularly as fungicides or herbicides, due to their ability to interact with biological systems. The molecular structure suggests potential for hydrogen bonding and other interactions, which can affect solubility and reactivity. Additionally, the presence of halogens and sulfur can impart specific electronic properties, making it a subject of interest in medicinal chemistry and agrochemical research. Safety and handling precautions should be observed, as with many synthetic organic compounds, due to potential toxicity or environmental impact.
Formula:C15H10ClF3N4S
InChI:InChI=1S/C15H10ClF3N4S/c1-24-14-22-21-13(9-5-6-12(16)20-8-9)23(14)11-4-2-3-10(7-11)15(17,18)19/h2-8H,1H3
InChI key:InChIKey=ZDBXSWROMBAVIY-UHFFFAOYSA-N
SMILES:S(C)C=1N(C(=NN1)C=2C=CC(Cl)=NC2)C3=CC(C(F)(F)F)=CC=C3
Synonyms:
  • Pyridine, 2-chloro-5-[5-(methylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]-
  • 2-Chloro-5-[5-(methylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]pyridine
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