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1-(4-bromophenyl)-2-(3-oxidanidyl-2-phenyl-quinazolin-3-ium-4-yl)sulfanyl-ethanone
SpectraBase Compound ID Go16v89ZZTT
InChI InChI=1S/C22H15BrN2O2S/c23-17-12-10-15(11-13-17)20(26)14-28-22-18-8-4-5-9-19(18)24-21(25(22)27)16-6-2-1-3-7-16/h1-13H,14H2
InChIKey CWCHSXFLBRVIOV-UHFFFAOYSA-N
Mol Weight 451.34 g/mol
Molecular Formula C22H15BrN2O2S
Exact Mass 450.003762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kEJm7dKoEh
Name 1-(4-bromophenyl)-2-(3-oxidanidyl-2-phenyl-quinazolin-3-ium-4-yl)sulfanyl-ethanone
CAS Registry Number 87814-20-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15BrN2O2S
InChI InChI=1S/C22H15BrN2O2S/c23-17-12-10-15(11-13-17)20(26)14-28-22-18-8-4-5-9-19(18)24-21(25(22)27)16-6-2-1-3-7-16/h1-13H,14H2
InChIKey CWCHSXFLBRVIOV-UHFFFAOYSA-N
Molecular Weight 451.338 g/mol
SMILES c1([n+](c(nc2ccccc12)-c1ccccc1)[O-])SCC(c1ccc(cc1)Br)=O
SPLASH splash10-0zgr-1940200000-cf012c13e1d411f378c7
Source of Spectrum Y-20-985-4
Synonyms 1-(4-bromophenyl)-2-(3-oxido-2-phenyl-quinazolin-3-ium-4-yl)sulfanyl-ethanone 1-(4-bromophenyl)-2-[(3-oxido-2-phenyl-4-quinazolin-3-iumyl)thio]ethanone 1-(4-bromophenyl)-2-[(3-oxido-2-phenyl-quinazolin-3-ium-4-yl)thio]ethanone
Wiley ID 1387616