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CAS 937605-30-6

:

4-[(4,5-Dihydro-4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]benzoic acid

Description:
4-[(4,5-Dihydro-4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]benzoic acid is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety and a triazole ring. The presence of the thioxo group contributes to its potential reactivity and biological activity. This compound may exhibit properties such as being a potential pharmaceutical agent, given the presence of the triazole, which is often associated with antifungal and antimicrobial activities. The methoxy group enhances its solubility and may influence its interaction with biological targets. Additionally, the phenyl group can provide hydrophobic interactions, which may be significant in drug design. The compound's molecular structure suggests it could participate in various chemical reactions, including nucleophilic substitutions and hydrogen bonding, making it of interest in medicinal chemistry and material science. Its specific applications and efficacy would depend on further studies and evaluations in biological systems.
Formula:C16H13N3O3S
InChI:InChI=1S/C16H13N3O3S/c20-15(21)11-6-8-13(9-7-11)22-10-14-17-18-16(23)19(14)12-4-2-1-3-5-12/h1-9H,10H2,(H,18,23)(H,20,21)
InChI key:InChIKey=IQKUFWFXCICUBV-UHFFFAOYSA-N
SMILES:C(OC1=CC=C(C(O)=O)C=C1)C=2N(C(=S)NN2)C3=CC=CC=C3
Synonyms:
  • Benzoic acid, 4-[(4,5-dihydro-4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-
  • 4-[(4,5-Dihydro-4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]benzoic acid
  • 4-((5-PHENYL-4-THIOXO-2,3,5-TRIAZOLINYL)METHOXY)BENZOIC ACID
  • 4-[(4-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-3-yl)methoxy]benzoic acid
  • 4-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]benzoic acid
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