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CAS 23455-88-1

:

3-[[[(3-Heptadecyl-1,5-dihydro-5-thioxo-4H-1,2,4-triazol-4-yl)amino]carbonyl]amino]benzenesulfonyl fluoride

Description:
3-[[[(3-Heptadecyl-1,5-dihydro-5-thioxo-4H-1,2,4-triazol-4-yl)amino]carbonyl]amino]benzenesulfonyl fluoride, with CAS number 23455-88-1, is a chemical compound characterized by its complex structure, which includes a sulfonyl fluoride group and a triazole moiety. The presence of the heptadecyl chain suggests it has hydrophobic properties, potentially influencing its solubility and interaction with biological membranes. The triazole ring is known for its role in various biological activities, including antifungal and antibacterial properties. The sulfonyl fluoride functional group is reactive and can participate in nucleophilic substitution reactions, making this compound potentially useful in medicinal chemistry and drug development. Its unique combination of functional groups may confer specific biological activities, making it a candidate for further research in pharmacology. Overall, this compound exemplifies the intricate relationship between molecular structure and biological function, warranting investigation into its potential applications in therapeutic contexts.
Formula:C26H42FN5O3S2
InChI:InChI=1S/C26H42FN5O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-29-30-26(36)32(24)31-25(33)28-22-18-17-19-23(21-22)37(27,34)35/h17-19,21H,2-16,20H2,1H3,(H,30,36)(H2,28,31,33)
InChI key:InChIKey=PTXRDRHMHUOBAH-UHFFFAOYSA-N
SMILES:N(C(NC1=CC(S(F)(=O)=O)=CC=C1)=O)N2C(CCCCCCCCCCCCCCCCC)=NNC2=S
Synonyms:
  • 3-Heptadecyl-4-m-fluorosulfonylphenylureido-Δ2-1,2,4-triazoline-5-thione
  • Benzenesulfonyl fluoride, 3-[[[(3-heptadecyl-1,5-dihydro-5-thioxo-4H-1,2,4-triazol-4-yl)amino]carbonyl]amino]-
  • 3-[[[(3-Heptadecyl-1,5-dihydro-5-thioxo-4H-1,2,4-triazol-4-yl)amino]carbonyl]amino]benzenesulfonyl fluoride
  • Metanilyl fluoride, N-[(3-heptadecyl-5-thioxo-Δ2-1,2,4-triazolin-4-yl)carbamoyl]-
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