(4E)-2-[2-(Dibenzylamino)-4-Methyl-1,3-Thiazol-5-Yl]-4-[2-(Dibenzyliminio)-4-Methyl-1,3-Thiazol-5(2H)-Ylidene]-3-Oxo-1-Cyclobuten-1-Olate
[CAS# 164534-33-2]

Identification

• Name: (4E)-2-[2-(Dibenzylamino)-4-Methyl-1,3-Thiazol-5-Yl]-4-[2-(Dibenzyliminio)-4-Methyl-1,3-Thiazol-5(2H)-Ylidene]-3-Oxo-1-Cyclobuten-1-Olate
• Synonyms: 1-(2-Dibenzylamino-4-methyl-thiazol-5-yl)-3-(2,5-dihydro-2- dibenzylimmonium-4-methyl-thiazol-5-ylidene)-2-oxo- cyclobuten-4-olate
• Molecular Formula: C₄₀H₃₄N₄O₂S₂
• Molecular Weight: 666.85
• CAS Registry Number: 164534-33-2
• SMILES: Cc1c(sc(n1)N(Cc2ccccc2)Cc3ccccc3)C4=C(/C(=C\5/C(=NC(=[N+](Cc6ccccc6)Cc7ccccc7)S5)C)/C4=O)[O-]
• InChI: 1S/C40H34N4O2S2/c1-27-37(47-39(41-27)43(23-29-15-7-3-8-16-29)24-30-17-9-4-10-18-30)33-35(45)34(36(33)46)38-28(2)42-40(48-38)44(25-31-19-11-5-12-20-31)26-32-21-13-6-14-22-32/h3-22H,23-26H2,1-2H3
• InChIKey: SPTQFSUBSPXQFD-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)