CAS 1001756-34-8

5-[4-[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Description:

The chemical substance known as 5-[4-[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, with the CAS number 1001756-34-8, is characterized by its complex molecular structure, which includes a triazole ring and a pyrazole moiety. This compound features a thione functional group, which is indicative of its potential reactivity and biological activity. The presence of the nitro group and multiple methyl substituents suggests that it may exhibit unique electronic properties and steric effects, influencing its interactions in biological systems. The ethyl group contributes to the hydrophobic character of the molecule, potentially affecting its solubility and permeability. Such compounds are often investigated for their pharmacological properties, including antimicrobial or anti-inflammatory activities. The intricate arrangement of functional groups allows for diverse applications in medicinal chemistry and agrochemicals, making it a subject of interest in research and development.

Formula: C₁₆H₁₈N₆O₂S

InChI: InChI=1S/C16H18N6O2S/c1-4-20-15(17-18-16(20)25)13-7-5-12(6-8-13)9-21-11(3)14(22(23)24)10(2)19-21/h5-8H,4,9H2,1-3H3,(H,18,25)

InChI key: InChIKey=NBFCLZBKTFBMNE-UHFFFAOYSA-N

SMILES: C(C)N1C(=NNC1=S)C2=CC=C(CN3C(C)=C(N(=O)=O)C(C)=N3)C=C2

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 5-[4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl]-4-ethyl-2,4-dihydro-
• 5-[4-[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl]-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione