5-(3-Bromophenyl)-Isoxazole
[CAS# 7064-33-7]

Identification

• Name: 5-(3-Bromophenyl)-Isoxazole
• Synonyms: 5-[(Z)-[3-[2-(3,4-Dimethoxyphenyl)Ethyl]-4-Oxo-2-Sulfanylidene-1,3-Thiazolidin-5-Ylidene]Methyl]-6-(3,5-Dimethylpiperidin-1-Yl)-4-Methyl-2-Oxo-1-Propylpyridine-3-Carbonitrile; 5-[(Z)-[3-[2-(3,4-Dimethoxyphenyl)Ethyl]-4-Oxo-2-Thioxo-Thiazolidin-5-Ylidene]Methyl]-6-(3,5-Dimethyl-1-Piperidyl)-4-Methyl-2-Oxo-1-Propyl-Pyridine-3-Carbonitrile; 5-[[3-[2-(3,4-Dimethoxyphenyl)Ethyl]-4-Oxo-2-Thioxo-Thiazolidin-5-Ylidene]Methyl]-6-(3,5-Dimethyl-1-Piperidyl)-4-Methyl-2-Oxo-1-Propyl-Pyridine-3-Carbonitrile
• Molecular Formula: C₃₁H₃₈N₄O₄S₂
• Molecular Weight: 594.79
• CAS Registry Number: 7064-33-7
• SMILES: C4=C(CCN1C(=O)\C(SC1=S)=C\C2=C(N(C(=O)C(=C2C)C#N)CCC)N3CC(CC(C3)C)C)C=CC(=C4OC)OC
• InChI: 1S/C31H38N4O4S2/c1-7-11-34-28(33-17-19(2)13-20(3)18-33)23(21(4)24(16-32)29(34)36)15-27-30(37)35(31(40)41-27)12-10-22-8-9-25(38-5)26(14-22)39-6/h8-9,14-15,19-20H,7,10-13,17-18H2,1-6H3/b27-15-
• InChIKey: ALUPLTWVMIXEQH-DICXZTSXSA-N