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2-(3-oxidanidyl-2-phenyl-quinazolin-3-ium-4-yl)sulfanyl-1-(4-phenylphenyl)ethanone
SpectraBase Compound ID GeaTKmLOSxt
InChI InChI=1S/C28H20N2O2S/c31-26(22-17-15-21(16-18-22)20-9-3-1-4-10-20)19-33-28-24-13-7-8-14-25(24)29-27(30(28)32)23-11-5-2-6-12-23/h1-18H,19H2
InChIKey ZGLBIQCQAVQOJH-UHFFFAOYSA-N
Mol Weight 448.54 g/mol
Molecular Formula C28H20N2O2S
Exact Mass 448.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2c22a5ySVz
Name 2-(3-oxidanidyl-2-phenyl-quinazolin-3-ium-4-yl)sulfanyl-1-(4-phenylphenyl)ethanone
CAS Registry Number 87814-21-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20N2O2S
InChI InChI=1S/C28H20N2O2S/c31-26(22-17-15-21(16-18-22)20-9-3-1-4-10-20)19-33-28-24-13-7-8-14-25(24)29-27(30(28)32)23-11-5-2-6-12-23/h1-18H,19H2
InChIKey ZGLBIQCQAVQOJH-UHFFFAOYSA-N
Molecular Weight 448.540 g/mol
SMILES c1([n+](c(nc2ccccc12)-c1ccccc1)[O-])SCC(c1ccc(cc1)-c1ccccc1)=O
SPLASH splash10-0ue9-2920400000-9ca50441593d30dec6f1
Source of Spectrum Y-20-985-3
Synonyms 2-(3-oxido-2-phenyl-quinazolin-3-ium-4-yl)sulfanyl-1-(4-phenylphenyl)ethanone 2-[(3-oxido-2-phenyl-4-quinazolin-3-iumyl)thio]-1-(4-phenylphenyl)ethanone 2-[(3-oxido-2-phenyl-quinazolin-3-ium-4-yl)thio]-1-(4-phenylphenyl)ethanone
Wiley ID 1387308