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CAS 1346809-32-2

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Methyl 1-[(4-methylphenyl)sulfonyl]-1H-1,2,4-triazole-3-carboxylate

Description:
Methyl 1-[(4-methylphenyl)sulfonyl]-1H-1,2,4-triazole-3-carboxylate is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features a methyl ester functional group, contributing to its solubility and reactivity. The presence of a sulfonyl group attached to a 4-methylphenyl moiety enhances its chemical stability and may influence its biological activity. Typically, compounds of this nature are investigated for their potential applications in pharmaceuticals, particularly as antifungal or antimicrobial agents, due to the triazole structure's known efficacy in inhibiting certain enzymes in pathogens. The molecular structure suggests that it may exhibit moderate to high lipophilicity, which can affect its absorption and distribution in biological systems. Additionally, the compound's specific interactions with biological targets can be influenced by the steric and electronic properties of the substituents on the triazole and phenyl groups. Overall, this compound represents a class of molecules with significant potential in medicinal chemistry.
Formula:C11H11N3O4S
InChI:InChI=1S/C11H11N3O4S/c1-8-3-5-9(6-4-8)19(16,17)14-7-12-10(13-14)11(15)18-2/h3-7H,1-2H3
InChI key:InChIKey=ZUYKOBDMUAVKHY-UHFFFAOYSA-N
SMILES:S(=O)(=O)(N1N=C(C(OC)=O)N=C1)C2=CC=C(C)C=C2
Synonyms:
  • Methyl 1-[(4-methylphenyl)sulfonyl]-1H-1,2,4-triazole-3-carboxylate
  • 1H-1,2,4-Triazole-3-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-, methyl ester
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