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CAS 306937-16-6

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5-[3-tert-butyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]-1,3,4-oxadiazole-2(3H)-thione

Description:
5-[3-tert-butyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]-1,3,4-oxadiazole-2(3H)-thione is a chemical compound characterized by its complex structure, which includes a pyrazole ring and an oxadiazole moiety. This compound features a thione functional group, which is a sulfur-containing derivative of a carbonyl compound, indicating potential reactivity and biological activity. The presence of the tert-butyl and 3-methylbenzyl groups suggests that the compound may exhibit hydrophobic properties, influencing its solubility and interaction with biological membranes. Additionally, the pyrazole and oxadiazole rings are known for their diverse pharmacological activities, including anti-inflammatory and antimicrobial properties. The compound's molecular structure may allow for various applications in medicinal chemistry, particularly in the development of new therapeutic agents. Its specific characteristics, such as melting point, solubility, and reactivity, would depend on the precise molecular interactions and the environment in which it is studied. Overall, this compound represents a class of heterocyclic compounds with potential significance in chemical and pharmaceutical research.
Formula:C17H20N4OS
InChI:InChI=1/C17H20N4OS/c1-11-6-5-7-12(8-11)10-21-13(15-18-19-16(23)22-15)9-14(20-21)17(2,3)4/h5-9H,10H2,1-4H3,(H,19,23)
SMILES:Cc1cccc(c1)Cn1c(cc(C(C)(C)C)n1)c1nnc(o1)S
Synonyms:
  • 1,3,4-oxadiazole-2-thiol, 5-[3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-
  • 5-[3-tert-Butyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]-1,3,4-oxadiazole-2-thiol
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