4-[(4Z)-4-[(1Z)-1-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)Propan-2-Ylidene]-3-Methyl-5-Oxopyrazol-1-Yl]Benzenesulfonic Acid
[CAS# 31994-53-3]

Identification

• Name: 4-[(4Z)-4-[(1Z)-1-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)Propan-2-Ylidene]-3-Methyl-5-Oxopyrazol-1-Yl]Benzenesulfonic Acid
• Synonyms: 4-[(4Z)-4-[(2Z)-2-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)-1-Methyl-Ethylidene]-3-Methyl-5-Oxo-Pyrazol-1-Yl]Benzenesulfonic Acid; 4-[(4Z)-4-[(2Z)-2-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)-1-Methylethylidene]-3-Methyl-5-Oxo-1-Pyrazolyl]Benzenesulfonic Acid; 4-[(4Z)-4-[(2Z)-2-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)-1-Methyl-Ethylidene]-5-Keto-3-Methyl-Pyrazol-1-Yl]Benzenesulfonic Acid
• Molecular Formula: C₂₂H₂₁N₃O₄S₂
• Molecular Weight: 455.55
• CAS Registry Number: 31994-53-3
• EINECS: 250-885-4
• SMILES: C1=CC(=CC=C1[S](=O)(=O)O)N2N=C(C)\C(C2=O)=C(\C=C\3SC4=C(N3CC)C=CC=C4)C
• InChI: 1S/C22H21N3O4S2/c1-4-24-18-7-5-6-8-19(18)30-20(24)13-14(2)21-15(3)23-25(22(21)26)16-9-11-17(12-10-16)31(27,28)29/h5-13H,4H2,1-3H3,(H,27,28,29)/b20-13-,21-14-
• InChIKey: BGUFNHOQYFNSKN-NMGXZBPKSA-N

Properties

• Density: 1.4g/cm³ (Cal.)