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3-[4-(methylthio)phenyl]-1H-pyrazole-4-carbaldehyde[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]hydrazone
SpectraBase Compound ID 51zGlTLw6q0
InChI InChI=1S/C23H16BrN5O2S2/c1-32-17-5-2-13(3-6-17)21-15(10-25-28-21)11-26-29-23-27-19(12-33-23)18-9-14-8-16(24)4-7-20(14)31-22(18)30/h2-12H,1H3,(H,25,28)(H,27,29)/b26-11+
InChIKey ZDBUMALOSVXKFD-KBKYJPHKSA-N
Mol Weight 538.44 g/mol
Molecular Formula C23H16BrN5O2S2
Exact Mass 536.99288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1kuCFy6CFv
Name 3-[4-(methylthio)phenyl]-1H-pyrazole-4-carbaldehyde[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]hydrazone
Comments Less than 3 mono-isotopic peaks
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Formula C23H16BrN5O2S2
InChI InChI=1S/C23H16BrN5O2S2/c1-32-17-5-2-13(3-6-17)21-15(10-25-28-21)11-26-29-23-27-19(12-33-23)18-9-14-8-16(24)4-7-20(14)31-22(18)30/h2-12H,1H3,(H,25,28)(H,27,29)/b26-11+
InChIKey ZDBUMALOSVXKFD-KBKYJPHKSA-N
Molecular Weight 538.438 g/mol
SMILES N(\N=C\c1c[nH]nc1-c1ccc(cc1)SC)c1nc(C=2C(Oc3c(C2)cc(cc3)Br)=O)cs1
SPLASH splash10-0006-0000090000-b7e275a4b822171ce622
Source of Spectrum F2-45-5463-8b
Wiley ID 1703941