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2-(2-(4,5-dihydro-4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-ylthio)acetamido)-N'-((furan-2-yl)methylene)-4-(methylthio)butanehydrazide
SpectraBase Compound ID BjuctCCJMwL
InChI InChI=1S/C22H23N7O4S2/c1-28-20(32)15-7-3-4-8-17(15)29-21(28)26-27-22(29)35-13-18(30)24-16(9-11-34-2)19(31)25-23-12-14-6-5-10-33-14/h3-8,10,12,16H,9,11,13H2,1-2H3,(H,24,30)(H,25,31)
InChIKey WEPUFNZVDKMSSB-UHFFFAOYSA-N
Mol Weight 513.59 g/mol
Molecular Formula C22H23N7O4S2
Exact Mass 513.125295 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RNghtopwwr
Name 2-(2-(4,5-dihydro-4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-ylthio)acetamido)-N'-((furan-2-yl)methylene)-4-(methylthio)butanehydrazide
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23N7O4S2
InChI InChI=1S/C22H23N7O4S2/c1-28-20(32)15-7-3-4-8-17(15)29-21(28)26-27-22(29)35-13-18(30)24-16(9-11-34-2)19(31)25-23-12-14-6-5-10-33-14/h3-8,10,12,16H,9,11,13H2,1-2H3,(H,24,30)(H,25,31)
InChIKey WEPUFNZVDKMSSB-UHFFFAOYSA-N
Instrument Name KRATOS Analytical Kompact
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0008.g18
Molecular Weight 513.591 g/mol
SMILES N(C(CSc1[n]-2c(N(C)C(c3ccccc23)=O)nn1)=O)C(C(=O)NN=Cc1occc1)CCSC
SPLASH splash10-0ul0-1590110000-c88a883b527b4205b4c8
Source of Spectrum ARK-2007-185-11f
Wiley ID 1869002