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(Z)-5-(2-((1-Benzyl-1H-1,2,3-triazol-4-yl)methoxy)-4-bromobenzylidene)-2-(pyridin-4-ylamino)thiazol-4(5H)-one
SpectraBase Compound ID HLIiInjV88O
InChI InChI=1S/C25H19BrN6O2S/c26-19-7-6-18(12-23-24(33)29-25(35-23)28-20-8-10-27-11-9-20)22(13-19)34-16-21-15-32(31-30-21)14-17-4-2-1-3-5-17/h1-13,15H,14,16H2,(H,27,28,29,33)/b23-12-
InChIKey XUBOSORXUNBHRT-FMCGGJTJSA-N
Mol Weight 547.43 g/mol
Molecular Formula C25H19BrN6O2S
Exact Mass 546.047358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XUAg7DHkaX
Name (Z)-5-(2-((1-Benzyl-1H-1,2,3-triazol-4-yl)methoxy)-4-bromobenzylidene)-2-(pyridin-4-ylamino)thiazol-4(5H)-one
Appearance Cream solid
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Formula C25H19BrN6O2S
InChI InChI=1S/C25H19BrN6O2S/c26-19-7-6-18(12-23-24(33)29-25(35-23)28-20-8-10-27-11-9-20)22(13-19)34-16-21-15-32(31-30-21)14-17-4-2-1-3-5-17/h1-13,15H,14,16H2,(H,27,28,29,33)/b23-12-
InChIKey XUBOSORXUNBHRT-FMCGGJTJSA-N
Instrument Name Finnigan-Mat 8430
Ionization Type EI
Literature Reference DOI 10.1002/aoc.5962
Molecular Weight 547.431 g/mol
SMILES N(C1=NC(\C(=C\c2ccc(cc2OCc2nn[n](c2)Cc2ccccc2)Br)S1)=O)c1ccncc1
SPLASH splash10-016v-1910000000-f845d0cacba70696a8e5
Source of Spectrum AOC-34-SM31-9f
Wiley ID 1855744