CAS 1001756-25-7

5-[2-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Description:

5-[2-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is a chemical compound characterized by its complex structure, which includes a triazole ring and a pyrazole moiety. The presence of a thione functional group indicates that it contains a sulfur atom double-bonded to a carbon atom, contributing to its reactivity and potential biological activity. The bromine substituent on the pyrazole ring enhances its lipophilicity and may influence its interaction with biological targets. This compound is likely to exhibit properties typical of heterocyclic compounds, such as potential antimicrobial or antifungal activity, owing to the presence of multiple nitrogen atoms in its structure. Its synthesis and characterization would typically involve standard organic chemistry techniques, including NMR and mass spectrometry for structural confirmation. The compound's CAS number, 1001756-25-7, allows for its identification in chemical databases, facilitating research and application in fields such as medicinal chemistry and agrochemicals.

Formula: C₁₁H₁₆BrN₅S

InChI: InChI=1S/C11H16BrN5S/c1-4-16-9(13-14-11(16)18)5-6-17-8(3)10(12)7(2)15-17/h4-6H2,1-3H3,(H,14,18)

InChI key: InChIKey=MOKFPAIKVWJYQI-UHFFFAOYSA-N

SMILES: C(CN1C(C)=C(Br)C(C)=N1)C=2N(CC)C(=S)NN2

Synonyms:

• 5-[2-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
• 3H-1,2,4-Triazole-3-thione, 5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-ethyl-2,4-dihydro-