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1-[2-Bromo-1-(1-(p-nitrophenyl)ethylideneimino)ethylamino]-2-mercapto-5-[5-methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl)-1,3,4-triazole
SpectraBase Compound ID IG5ajcyC8Uy
InChI InChI=1S/C22H18BrN9O2S/c1-14-3-7-17(8-4-14)30-15(2)20(26-29-30)21-27-28-22(35)31(21)25-12-11-24-19(13-23)16-5-9-18(10-6-16)32(33)34/h3-13H,1-2H3,(H,28,35)/b19-13+,24-11+,25-12+
InChIKey FXSAITIIWBDULY-VYJOHNHESA-N
Mol Weight 552.41 g/mol
Molecular Formula C22H18BrN9O2S
Exact Mass 551.048755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxfcNQa2pZF
Name 1-[2-Bromo-1-(1-(p-nitrophenyl)ethylideneimino)ethylamino]-2-mercapto-5-[5-methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl)-1,3,4-triazole
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Formula C22H18BrN9O2S
InChI InChI=1S/C22H18BrN9O2S/c1-14-3-7-17(8-4-14)30-15(2)20(26-29-30)21-27-28-22(35)31(21)25-12-11-24-19(13-23)16-5-9-18(10-6-16)32(33)34/h3-13H,1-2H3,(H,28,35)/b19-13+,24-11+,25-12+
InChIKey FXSAITIIWBDULY-VYJOHNHESA-N
Molecular Weight 552.411 g/mol
SMILES Sc1[n](c(-c2nn[n](c2C)-c2ccc(cc2)C)nn1)\N=C\C=N\C(c1ccc(N(=O)=O)cc1)=C/Br
SPLASH splash10-00r6-7970000000-0d66b2258d4133a80d11
Source of Spectrum QA-47-543-7
Wiley ID 863536