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CAS 680217-04-3

:

1-[[5-(6-Chloro-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone

Description:
The chemical substance known as 1-[[5-(6-Chloro-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone, with the CAS number 680217-04-3, is a complex organic compound characterized by its unique structural features. It contains a triazole ring, which is a five-membered heterocyclic compound containing three nitrogen atoms, contributing to its potential biological activity. The presence of a chloro-substituted pyridine and a trifluoromethylphenyl group suggests that this compound may exhibit significant lipophilicity and potential interactions with biological targets. The thioether linkage enhances its stability and may influence its pharmacokinetic properties. This compound is likely to be of interest in medicinal chemistry, particularly in the development of agrochemicals or pharmaceuticals, due to its diverse functional groups that can participate in various chemical reactions. Its specific properties, such as solubility, melting point, and reactivity, would depend on the molecular interactions and the environment in which it is studied.
Formula:C20H18ClF3N4OS
InChI:InChI=1S/C20H18ClF3N4OS/c1-19(2,3)15(29)11-30-18-27-26-17(12-7-8-16(21)25-10-12)28(18)14-6-4-5-13(9-14)20(22,23)24/h4-10H,11H2,1-3H3
InChI key:InChIKey=ITFMGKQYEHCAIG-UHFFFAOYSA-N
SMILES:S(CC(C(C)(C)C)=O)C=1N(C(=NN1)C=2C=CC(Cl)=NC2)C3=CC(C(F)(F)F)=CC=C3
Synonyms:
  • 1-[[5-(6-Chloro-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone
  • 2-Butanone, 1-[[5-(6-chloro-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-
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