14-[3-({4-[(2-{Butyl[(4-Methylphenyl)Sulfonyl]Amino}Phenyl)Sulfanyl]-5-Oxo-1-(2,4,6-Trichlorophenyl)-4,5-Dihydro-1H-Pyrazol-3-Yl}Amino)-4-Chlorophenyl]Tetradecanamide
[CAS# 217324-98-6]

Identification

• Name: 14-[3-({4-[(2-{Butyl[(4-Methylphenyl)Sulfonyl]Amino}Phenyl)Sulfanyl]-5-Oxo-1-(2,4,6-Trichlorophenyl)-4,5-Dihydro-1H-Pyrazol-3-Yl}Amino)-4-Chlorophenyl]Tetradecanamide
• Molecular Formula: C₄₆H₅₅Cl₄N₅O₄S₂
• Molecular Weight: 947.90
• CAS Registry Number: 217324-98-6
• SMILES: CCCCN(c1ccccc1SC2C(=NN(C2=O)c3c(cc(cc3Cl)Cl)Cl)Nc4cc(ccc4Cl)CCCCCCCCCCCCCC(=O)N)S(=O)(=O)c5ccc(cc5)C
• InChI: 1S/C46H55Cl4N5O4S2/c1-3-4-28-54(61(58,59)35-25-22-32(2)23-26-35)40-19-16-17-20-41(40)60-44-45(53-55(46(44)57)43-37(49)30-34(47)31-38(43)50)52-39-29-33(24-27-36(39)48)18-14-12-10-8-6-5-7-9-11-13-15-21-42(51)56/h16-17,19-20,22-27,29-31,44H,3-15,18,21,28H2,1-2H3,(H2,51,56)(H,52,53)
• InChIKey: GSXZMOWZCBMLAQ-UHFFFAOYSA-N

Properties

• Density: 1.315g/cm³ (Cal.)
• Boiling point: 951.286°C at 760 mmHg (Cal.)
• Flash point: 529.119°C (Cal.)
• Refractive index: 1.626 (Cal.)