4-[4-[[4-[Bis(2-Cyanoethyl)Amino]Phenyl]Methylene]-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Benzenesulphonic Acid
[CAS# 68541-05-9]

Identification

• Name: 4-[4-[[4-[Bis(2-Cyanoethyl)Amino]Phenyl]Methylene]-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Benzenesulphonic Acid
• Synonyms: 4-[(4E)-4-[[4-(Bis(2-Cyanoethyl)Amino)Phenyl]Methylene]-3-Methyl-5-Oxo-Pyrazol-1-Yl]Benzenesulfonic Acid; 4-[(4E)-4-[[4-(Bis(2-Cyanoethyl)Amino)Phenyl]Methylene]-3-Methyl-5-Oxo-1-Pyrazolyl]Benzenesulfonic Acid; 4-[(4E)-4-[4-(Bis(2-Cyanoethyl)Amino)Benzylidene]-5-Keto-3-Methyl-Pyrazol-1-Yl]Benzenesulfonic Acid
• Molecular Formula: C₂₃H₂₁N₅O₄S
• Molecular Weight: 463.51
• CAS Registry Number: 68541-05-9
• EINECS: 271-338-6
• SMILES: C1=CC(=CC=C1[S](=O)(=O)O)N2N=C(C)\C(C2=O)=C/C3=CC=C(C=C3)N(CCC#N)CCC#N
• InChI: 1S/C23H21N5O4S/c1-17-22(23(29)28(26-17)20-8-10-21(11-9-20)33(30,31)32)16-18-4-6-19(7-5-18)27(14-2-12-24)15-3-13-25/h4-11,16H,2-3,14-15H2,1H3,(H,30,31,32)/b22-16+
• InChIKey: JWBWZXYYSAFVDI-CJLVFECKSA-N