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6-(4-Chlorophenyl)-5-oxo-8-phenyl-1H-pyrido[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-thione
SpectraBase Compound ID 7vnY2NS5enM
InChI InChI=1S/C20H12ClN5OS/c21-13-8-6-11(7-9-13)14-10-15(12-4-2-1-3-5-12)22-17-16(14)18(27)26-19(23-17)24-25-20(26)28/h1-10H,(H,25,28)(H,22,23,24)
InChIKey JOEBCDYCMWJDDP-UHFFFAOYSA-N
Mol Weight 405.86 g/mol
Molecular Formula C20H12ClN5OS
Exact Mass 405.045109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4ZjS4AY66N
Name 6-(4-Chlorophenyl)-5-oxo-8-phenyl-1H-pyrido[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-thione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12ClN5OS
InChI InChI=1S/C20H12ClN5OS/c21-13-8-6-11(7-9-13)14-10-15(12-4-2-1-3-5-12)22-17-16(14)18(27)26-19(23-17)24-25-20(26)28/h1-10H,(H,25,28)(H,22,23,24)
InChIKey JOEBCDYCMWJDDP-UHFFFAOYSA-N
Molecular Weight 405.863 g/mol
SMILES N1NC(N2C1=Nc1c(C2=O)c(cc(-c2ccccc2)n1)-c1ccc(cc1)Cl)=S
SPLASH splash10-0006-0900100000-5ee944249622b5538981
Source of Spectrum F2-46-2035-8
Wiley ID 1689595