2-[2-(2,3-Dihydro-1,5-Dimethyl-3-Oxo-2-Phenyl-1H-Pyrazol-4-Yl)-3-(3-Methyl-3H-Benzothiazol-2-Ylidene)Prop-1-Enyl]-6-Methoxy-3-Methylbenzothiazolium Iodide
[CAS# 42034-61-7]

Identification

• Name: 2-[2-(2,3-Dihydro-1,5-Dimethyl-3-Oxo-2-Phenyl-1H-Pyrazol-4-Yl)-3-(3-Methyl-3H-Benzothiazol-2-Ylidene)Prop-1-Enyl]-6-Methoxy-3-Methylbenzothiazolium Iodide
• Synonyms: [2-[(Z,3E)-2-(1,5-Dimethyl-3-Oxo-2-Phenyl-Pyrazol-4-Yl)-3-(3-Methyl-1,3-Benzothiazol-2-Ylidene)Prop-1-Enyl]-3-Methyl-2H-1,3-Benzothiazol-6-Yl]-Methyl-Oxonium Iodide; [2-[(Z,3E)-2-(1,5-Dimethyl-3-Oxo-2-Phenyl-4-Pyrazolyl)-3-(3-Methyl-1,3-Benzothiazol-2-Ylidene)Prop-1-Enyl]-3-Methyl-2H-1,3-Benzothiazol-6-Yl]-Methyloxonium Iodide; [2-[(Z,3E)-2-(3-Keto-1,5-Dimethyl-2-Phenyl-Pyrazol-4-Yl)-3-(3-Methyl-1,3-Benzothiazol-2-Ylidene)Prop-1-Enyl]-3-Methyl-2H-1,3-Benzothiazol-6-Yl]-Methyl-Oxonium Iodide
• Molecular Formula: C₃₁H₃₁IN₄O₂S₂
• Molecular Weight: 682.64
• CAS Registry Number: 42034-61-7
• EINECS: 255-634-2
• SMILES: [OH+](C6=CC1=C(N(C(S1)/C=C(C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)/C=C\5SC4=CC=CC=C4N5C)C)C=C6)C.[I-]
• InChI: 1S/C31H30N4O2S2.HI/c1-20-30(31(36)35(34(20)4)22-11-7-6-8-12-22)21(17-28-32(2)24-13-9-10-14-26(24)38-28)18-29-33(3)25-16-15-23(37-5)19-27(25)39-29;/h6-19,29H,1-5H3;1H/b21-18-,28-17+
• InChIKey: CUTVEBRUTUVXPH-NITYGKRVSA-N