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CAS 731826-99-6

:

4-(4-Chlorophenyl)-2,4-dihydro-5-(3-methoxyphenyl)-3H-1,2,4-triazole-3-thione

Description:
4-(4-Chlorophenyl)-2,4-dihydro-5-(3-methoxyphenyl)-3H-1,2,4-triazole-3-thione is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocycle containing three nitrogen atoms. This compound features a chlorophenyl group and a methoxyphenyl group, contributing to its potential biological activity and lipophilicity. The presence of the thione functional group (–C=S) indicates that it may exhibit properties typical of thioketones, which can influence its reactivity and interactions with biological targets. The compound's molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the diverse biological activities associated with triazole derivatives, including antifungal and anticancer properties. Additionally, the presence of substituents like chlorine and methoxy groups can enhance its pharmacological profile by modulating solubility and bioavailability. As with many synthetic compounds, its safety, efficacy, and environmental impact would need to be evaluated through rigorous testing.
Formula:C15H12ClN3OS
InChI:InChI=1S/C15H12ClN3OS/c1-20-13-4-2-3-10(9-13)14-17-18-15(21)19(14)12-7-5-11(16)6-8-12/h2-9H,1H3,(H,18,21)
InChI key:InChIKey=HQWZBJHWJPAXCS-UHFFFAOYSA-N
SMILES:S=C1N(C(=NN1)C2=CC(OC)=CC=C2)C3=CC=C(Cl)C=C3
Synonyms:
  • 3H-1,2,4-Triazole-3-thione, 4-(4-chlorophenyl)-2,4-dihydro-5-(3-methoxyphenyl)-
  • 4-(4-Chlorophenyl)-2,4-dihydro-5-(3-methoxyphenyl)-3H-1,2,4-triazole-3-thione
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