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CAS 21358-23-6

:

5-[(4-Chloro-2-methylphenoxy)methyl]-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione

Description:
5-[(4-Chloro-2-methylphenoxy)methyl]-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione, with CAS number 21358-23-6, is a chemical compound that belongs to the class of triazoles, which are five-membered heterocyclic compounds containing three nitrogen atoms. This substance features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom, which contributes to its reactivity and potential biological activity. The presence of a chloro group and a methyl group on the aromatic ring suggests that it may exhibit specific interactions with biological targets, making it of interest in medicinal chemistry. The compound's structure includes a phenyl group, which can enhance lipophilicity and influence its pharmacokinetic properties. Additionally, the triazole ring is known for its role in various applications, including as antifungal agents and in agricultural chemistry. Overall, this compound's unique structural features may confer specific properties that warrant further investigation for potential therapeutic or agricultural applications.
Formula:C16H14ClN3OS
InChI:InChI=1S/C16H14ClN3OS/c1-11-9-12(17)7-8-14(11)21-10-15-18-19-16(22)20(15)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,19,22)
InChI key:InChIKey=JEURIIQPMNMJGR-UHFFFAOYSA-N
SMILES:C(OC1=C(C)C=C(Cl)C=C1)C=2N(C(=S)NN2)C3=CC=CC=C3
Synonyms:
  • 3H-1,2,4-Triazole-3-thione, 5-[(4-chloro-2-methylphenoxy)methyl]-2,4-dihydro-4-phenyl-
  • Δ2-1,2,4-Triazoline-5-thione, 3-[[(4-chloro-o-tolyl)oxy]methyl]-4-phenyl-
  • 5-[(4-Chloro-2-methylphenoxy)methyl]-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione
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