3-Ethyl-2-[(E)-{3-[(Z)-(1-Ethylnaphtho[1,2-d][1,3]Thiazol-2(1H)-Ylidene)Methyl]-2-Cyclohexen-1-Ylidene}Methyl]-1,3-Benzothiazol-3-Ium Iodide
[CAS# 54118-11-5]

Identification

• Name: 3-Ethyl-2-[(E)-{3-[(Z)-(1-Ethylnaphtho[1,2-d][1,3]Thiazol-2(1H)-Ylidene)Methyl]-2-Cyclohexen-1-Ylidene}Methyl]-1,3-Benzothiazol-3-Ium Iodide
• Synonyms: 3-ethyl-2-[(3-{[1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene]methyl}-2-cyclohexen-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide; Benzothiazolium, 3-ethyl-2-[[3-[(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)methyl]-2-cyclohexen-1-ylidene]methyl]-, iodide; ; Naphtho[1,2-d]thiazolium, 1-ethyl-2-[[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-2-cyclohexen-1-ylidene]methyl]-, iodide (9CI)
• Molecular Formula: C₃₀H₂₉IN₂S₂
• Molecular Weight: 608.60
• CAS Registry Number: 54118-11-5
• SMILES: CC[n+]1c2ccccc2sc1C=C3CCCC(=C3)C=C4N(c5c6ccccc6ccc5S4)CC.[I-]
• InChI: 1S/C30H29N2S2.HI/c1-3-31-25-14-7-8-15-26(25)33-28(31)19-21-10-9-11-22(18-21)20-29-32(4-2)30-24-13-6-5-12-23(24)16-17-27(30)34-29;/h5-8,12-20H,3-4,9-11H2,1-2H3;1H/q+1;/p-1
• InChIKey: FRBHYXXIGUAHCD-UHFFFAOYSA-M