3-Allyl-5-[2-(3-Ethylbenzothiazol-2(3H)-Ylidene)-1-Phenylethylidene]-2-[(3-Ethyl-4,5-Diphenylthiazol-2(3H)-Ylidene)Methyl]-4-Oxothiazolium Iodide
[CAS# 84434-28-6]

Identification

• Name: 3-Allyl-5-[2-(3-Ethylbenzothiazol-2(3H)-Ylidene)-1-Phenylethylidene]-2-[(3-Ethyl-4,5-Diphenylthiazol-2(3H)-Ylidene)Methyl]-4-Oxothiazolium Iodide
• Synonyms: (5Z)-3-Allyl-5-[(2Z)-2-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)-1-Phenyl-Ethylidene]-2-[(Z)-(3-Ethyl-4,5-Diphenyl-Thiazol-2-Ylidene)Methyl]Thiazol-3-Ium-4-One Iodide; (5Z)-3-Allyl-5-[(2Z)-2-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)-1-Phenylethylidene]-2-[(Z)-(3-Ethyl-4,5-Diphenyl-2-Thiazolylidene)Methyl]-4-Thiazol-3-Iumone Iodide; (5Z)-5-[(2Z)-2-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)-1-Phenyl-Ethylidene]-2-[(Z)-(3-Ethyl-4,5-Diphenyl-1,3-Thiazol-2-Ylidene)Methyl]-3-Prop-2-Enyl-1,3-Thiazol-3-Ium-4-One Iodide
• Molecular Formula: C₄₁H₃₆IN₃OS₃
• Molecular Weight: 809.84
• CAS Registry Number: 84434-28-6
• EINECS: 282-827-9
• SMILES: [S+]1=C([N](C(=C1C2=CC=CC=C2)C3=CC=CC=C3)CC)C=C7SC(=C(/C=C/5SC4=CC=CC=C4N5CC)C6=CC=CC=C6)/C(=O)N7CC=C.[I-]
• InChI: 1S/C41H36N3OS3.HI/c1-4-26-44-37(28-36-43(6-3)38(30-20-12-8-13-21-30)39(47-36)31-22-14-9-15-23-31)48-40(41(44)45)32(29-18-10-7-11-19-29)27-35-42(5-2)33-24-16-17-25-34(33)46-35;/h4,7-25,27-28H,1,5-6,26H2,2-3H3;1H/q+1;/p-1/b35-27-,40-32-
• InChIKey: PPNGMEQPRPNCQT-WGCVPYJQSA-M