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CAS 124998-68-1

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4-(4-Chlorophenyl)-5-[4-(1,1-dimethylethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione

Description:
4-(4-Chlorophenyl)-5-[4-(1,1-dimethylethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, with CAS number 124998-68-1, is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom, contributing to its reactivity and potential biological activity. The presence of chlorophenyl and tert-butylphenyl substituents enhances its lipophilicity and may influence its interaction with biological targets. The compound is likely to exhibit properties typical of triazoles, such as antifungal or herbicidal activities, although specific biological activities would depend on further empirical studies. Its molecular structure suggests potential applications in pharmaceuticals or agrochemicals, where the modification of the triazole framework can lead to diverse biological effects. Safety and handling precautions should be observed, as with any chemical substance, due to potential toxicity or environmental impact.
Formula:C18H18ClN3S
InChI:InChI=1S/C18H18ClN3S/c1-18(2,3)13-6-4-12(5-7-13)16-20-21-17(23)22(16)15-10-8-14(19)9-11-15/h4-11H,1-3H3,(H,21,23)
InChI key:InChIKey=XKULROXVGOGMDR-UHFFFAOYSA-N
SMILES:S=C1N(C(=NN1)C2=CC=C(C(C)(C)C)C=C2)C3=CC=C(Cl)C=C3
Synonyms:
  • 4-(4-Chlorophenyl)-5-[4-(1,1-dimethylethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
  • 3H-1,2,4-Triazole-3-thione, 4-(4-chlorophenyl)-5-[4-(1,1-dimethylethyl)phenyl]-2,4-dihydro-
  • 5-(4-tert-Butylphenyl)-4-(4-chlorophenyl)-4H-[1,2,4]triazole-3-thiol
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