N-[4-[[3-Ethoxy-4,5-Dihydro-5-Oxo-4-[(1-Phenyl-1H-Tetrazol-5-Yl)Thio]-1H-Pyrazol]-1-Yl]Phenyl]-2-(3-Pentadecylphenoxy)Butanamide
[CAS# 6016-51-9]

Identification

• Name: N-[4-[[3-Ethoxy-4,5-Dihydro-5-Oxo-4-[(1-Phenyl-1H-Tetrazol-5-Yl)Thio]-1H-Pyrazol]-1-Yl]Phenyl]-2-(3-Pentadecylphenoxy)Butanamide
• Synonyms: N-[4-[3-Ethoxy-5-Oxo-4-[(1-Phenyl-5-Tetrazolyl)Thio]-4H-Pyrazol-1-Yl]Phenyl]-2-(3-Pentadecylphenoxy)Butanamide; N-[4-[3-Ethoxy-5-Keto-4-[(1-Phenyltetrazol-5-Yl)Thio]-4H-Pyrazol-1-Yl]Phenyl]-2-(3-Pentadecylphenoxy)Butyramide; N-[4-[3-Ethoxy-5-Oxo-4-[(1-Phenyl-1,2,3,4-Tetrazol-5-Yl)Sulfanyl]-4H-Pyrazol-1-Yl]Phenyl]-2-(3-Pentadecylphenoxy)Butanamide
• Molecular Formula: C₄₃H₅₇N₇O₄S
• Molecular Weight: 768.03
• CAS Registry Number: 6016-51-9
• SMILES: C1=CC(=CC=C1N2C(C(C(=N2)OCC)SC3=NN=N[N]3C4=CC=CC=C4)=O)NC(C(OC5=CC=CC(=C5)CCCCCCCCCCCCCCC)CC)=O
• InChI: 1S/C43H57N7O4S/c1-4-7-8-9-10-11-12-13-14-15-16-17-19-23-33-24-22-27-37(32-33)54-38(5-2)40(51)44-34-28-30-36(31-29-34)49-42(52)39(41(46-49)53-6-3)55-43-45-47-48-50(43)35-25-20-18-21-26-35/h18,20-22,24-32,38-39H,4-17,19,23H2,1-3H3,(H,44,51)
• InChIKey: ILXQPFMXUKLMHN-UHFFFAOYSA-N

Properties

• Density: 1.191g/cm³ (Cal.)