CAS 956576-86-6

2,4-Dihydro-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-3-yl)-4-[(tetrahydro-2-furanyl)methyl]-3H-1,2,4-triazole-3-thione

Description:

2,4-Dihydro-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-3-yl)-4-[(tetrahydro-2-furanyl)methyl]-3H-1,2,4-triazole-3-thione, with CAS number 956576-86-6, is a synthetic organic compound characterized by its complex molecular structure, which includes a triazole ring and a thione functional group. This compound features multiple fused ring systems, contributing to its unique three-dimensional conformation and potential biological activity. The presence of the tetrahydro-cycloheptathiene moiety suggests possible interactions with biological targets, making it of interest in medicinal chemistry. The thione group may enhance its reactivity and solubility properties, while the furan substituent could influence its pharmacokinetic profile. Overall, this compound's intricate structure may confer specific properties that could be explored for applications in pharmaceuticals or agrochemicals, although detailed studies would be necessary to elucidate its full potential and mechanisms of action.

Formula: C₁₆H₂₁N₃OS₂

InChI: InChI=1S/C16H21N3OS2/c21-16-18-17-15(19(16)9-11-5-4-8-20-11)13-10-22-14-7-3-1-2-6-12(13)14/h10-11H,1-9H2,(H,18,21)

InChI key: InChIKey=YZJULCVAXFVLTL-UHFFFAOYSA-N

SMILES: C(N1C(C=2C3=C(SC2)CCCCC3)=NNC1=S)C4CCCO4

Synonyms:

• 2,4-Dihydro-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-3-yl)-4-[(tetrahydro-2-furanyl)methyl]-3H-1,2,4-triazole-3-thione
• 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-3-yl)-4-[(tetrahydro-2-furanyl)methyl]-