3-Methyl-5-(4-Penten-1-Ynyl)-2-Isoxazoline
[CAS# 7064-16-6]

Identification

• Name: 3-Methyl-5-(4-Penten-1-Ynyl)-2-Isoxazoline
• Synonyms: 6-(4-Ethylpiperazin-1-Yl)-4-Methyl-2-Oxo-5-[(4-Oxo-3-Sec-Butyl-2-Thioxo-Thiazolidin-5-Ylidene)Methyl]-1-Propyl-Pyridine-3-Carbonitrile; 6-(4-Ethyl-1-Piperazinyl)-4-Methyl-2-Oxo-5-[(4-Oxo-3-Sec-Butyl-2-Thioxo-5-Thiazolidinylidene)Methyl]-1-Propyl-3-Pyridinecarbonitrile; 6-(4-Ethylpiperazin-1-Yl)-2-Keto-5-[(4-Keto-3-Sec-Butyl-2-Thioxo-Thiazolidin-5-Ylidene)Methyl]-4-Methyl-1-Propyl-Nicotinonitrile
• Molecular Formula: C₂₄H₃₃N₅O₂S₂
• Molecular Weight: 487.68
• CAS Registry Number: 7064-16-6
• SMILES: C(N2C(=C(/C=C/1SC(N(C1=O)C(CC)C)=S)C(=C(C2=O)C#N)C)N3CCN(CC3)CC)CC
• InChI: 1S/C24H33N5O2S2/c1-6-9-28-21(27-12-10-26(8-3)11-13-27)18(17(5)19(15-25)22(28)30)14-20-23(31)29(16(4)7-2)24(32)33-20/h14,16H,6-13H2,1-5H3/b20-14-
• InChIKey: RYNHHJOWJMCVIX-ZHZULCJRSA-N