CAS 1306739-33-2

2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]propanoic acid hydrazide

Description:

2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]propanoic acid hydrazide is a complex organic compound characterized by its unique structural features, including a triazole ring and a hydrazide functional group. The presence of a 4-chlorophenyl moiety suggests potential biological activity, as chlorinated aromatic compounds often exhibit significant pharmacological properties. This compound may possess both hydrophilic and lipophilic characteristics due to its diverse functional groups, which can influence its solubility and interaction with biological systems. The thioether linkage contributes to its stability and reactivity, potentially allowing for various chemical transformations. Additionally, the hydrazide group may participate in hydrogen bonding, enhancing its interactions with other molecules. Overall, this compound's intricate structure indicates potential applications in medicinal chemistry, particularly in the development of new therapeutic agents. However, specific biological activities, toxicity, and pharmacokinetic properties would require further investigation through experimental studies.

Formula: C₁₈H₁₉ClN₆OS

InChI: InChI=1S/C18H19ClN6OS/c1-12(17(26)22-20)27-18-24-23-16(25(18)15-5-3-2-4-6-15)11-21-14-9-7-13(19)8-10-14/h2-10,12,21H,11,20H2,1H3,(H,22,26)

InChI key: InChIKey=SAUQRASWKOBFHS-UHFFFAOYSA-N

SMILES: S(C(C(NN)=O)C)C=1N(C(CNC2=CC=C(Cl)C=C2)=NN1)C3=CC=CC=C3

Synonyms:

• Propanoic acid, 2-[[5-[[(4-chlorophenyl)amino]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, hydrazide
• 2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]propanoic acid hydrazide
• 2-[(5-{[(4-Chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)thio]propanohydrazide