5-(4-Bromophenyl)Isoxazole
[CAS# 7064-31-5]

Identification

• Name: 5-(4-Bromophenyl)Isoxazole
• Synonyms: 5-[[3-(1,5-Dimethyl-3-Oxo-2-Phenylpyrazol-4-Yl)-4-Oxo-2-Sulfanylidene-1,3-Thiazolidin-5-Ylidene]Methyl]-4-Methyl-6-(3-Methylpiperidin-1-Yl)-2-Oxo-1-Propylpyridine-3-Carbonitrile; 5-[(Z)-[3-(1,5-Dimethyl-3-Oxo-2-Phenyl-Pyrazol-4-Yl)-4-Oxo-2-Thioxo-Thiazolidin-5-Ylidene]Methyl]-4-Methyl-6-(3-Methyl-1-Piperidyl)-2-Oxo-1-Propyl-Pyridine-3-Carbonitrile; 5-[[3-(1,5-Dimethyl-3-Oxo-2-Phenyl-Pyrazol-4-Yl)-4-Oxo-2-Thioxo-Thiazolidin-5-Ylidene]Methyl]-4-Methyl-6-(3-Methyl-1-Piperidyl)-2-Oxo-1-Propyl-Pyridine-3-Carbonitrile
• Molecular Formula: C₃₁H₃₄N₆O₃S₂
• Molecular Weight: 602.77
• CAS Registry Number: 7064-31-5
• SMILES: C5=C(N4N(C(=C(N1C(=O)\C(SC1=S)=C\C2=C(N(C(=O)C(=C2C)C#N)CCC)N3CC(CCC3)C)C4=O)C)C)C=CC=C5
• InChI: 1S/C31H34N6O3S2/c1-6-14-35-27(34-15-10-11-19(2)18-34)23(20(3)24(17-32)28(35)38)16-25-29(39)36(31(41)42-25)26-21(4)33(5)37(30(26)40)22-12-8-7-9-13-22/h7-9,12-13,16,19H,6,10-11,14-15,18H2,1-5H3/b25-16-
• InChIKey: LQPROPLOIBHLEY-XYGWBWBKSA-N