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(E,E)-Bis(3-bromobenzyl)-2,4-bis(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl-imino)-1,3-diazetidine
SpectraBase Compound ID JvnpOF9cUVu
InChI InChI=1S/C26H24Br2N10O2S2/c1-15-21(39)37(25(41-3)31-29-15)33-23-35(13-17-7-5-9-19(27)11-17)24(36(23)14-18-8-6-10-20(28)12-18)34-38-22(40)16(2)30-32-26(38)42-4/h5-12H,13-14H2,1-4H3/b33-23-,34-24+
InChIKey QECJLUUGKTYFDH-HUMGCQOQSA-N
Mol Weight 732.47 g/mol
Molecular Formula C26H24Br2N10O2S2
Exact Mass 729.989188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QYZJgw9Nlx
Name 1,3-Bis(3-Bromobenzyl)-2,4-bis(6-methyl-3-methylthio-5-oxo-1,2,4-triazin-4yl)-1,3-diazetidine
Alternate Name(s) 1,3-Bis(3-Bromobenzyl)-2,4-bis(6-methyl-3-methylthio-5-oxo-1,2,4-triazin-4ylideneamino)-1,3-diazetidine 4-({1,3-bis(3-bromobenzyl)-4-[(6-methyl-3-(methylsulfanyl)-5-oxo-1,2,4-triazin-4(5H)-yl)imino]-1,3-diazetidin-2-ylidene}amino)-6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
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Formula C26H24Br2N10O2S2
InChI InChI=1S/C26H24Br2N10O2S2/c1-15-21(39)37(25(41-3)31-29-15)33-23-35(13-17-7-5-9-19(27)11-17)24(36(23)14-18-8-6-10-20(28)12-18)34-38-22(40)16(2)30-32-26(38)42-4/h5-12H,13-14H2,1-4H3/b33-23-,34-24+
InChIKey QECJLUUGKTYFDH-HUMGCQOQSA-N
Molecular Weight 732.474 g/mol
SMILES C(N1\C(N(\C1=N\N1C(C(C)=NN=C1SC)=O)Cc1cc(Br)ccc1)=N/N1C(C(C)=NN=C1SC)=O)c1cc(Br)ccc1
SPLASH splash10-00r2-8900000000-b565e20e5c2888f4d8c5
Source of Spectrum KC-0-209-10
Wiley ID 776020