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CAS 127055-61-2

:

4-(4-Bromophenyl)-2,4-dihydro-5-(3-pyridinyl)-3H-1,2,4-triazole-3-thione

Description:
4-(4-Bromophenyl)-2,4-dihydro-5-(3-pyridinyl)-3H-1,2,4-triazole-3-thione, with CAS number 127055-61-2, is a heterocyclic compound featuring a triazole ring, which is a five-membered ring containing three nitrogen atoms. This compound exhibits 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 both a bromophenyl group and a pyridinyl group suggests that it may possess interesting electronic properties and could interact with biological targets, making it of interest in medicinal chemistry. The compound's structure allows for various intermolecular interactions, such as hydrogen bonding and π-π stacking, which can influence its solubility and stability. Additionally, the presence of halogen atoms, like bromine, can enhance lipophilicity and affect the compound's pharmacokinetic properties. Overall, this compound's unique structural features may provide avenues for further research in drug development and material science.
Formula:C13H9BrN4S
InChI:InChI=1S/C13H9BrN4S/c14-10-3-5-11(6-4-10)18-12(16-17-13(18)19)9-2-1-7-15-8-9/h1-8H,(H,17,19)
InChI key:InChIKey=AZAMYMPZLIXBAJ-UHFFFAOYSA-N
SMILES:S=C1N(C(=NN1)C=2C=CC=NC2)C3=CC=C(Br)C=C3
Synonyms:
  • 4-(4-Bromophenyl)-2,4-dihydro-5-(3-pyridinyl)-3H-1,2,4-triazole-3-thione
  • 3H-1,2,4-Triazole-3-thione, 4-(4-bromophenyl)-2,4-dihydro-5-(3-pyridinyl)-
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