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1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone

View entire compound with spectra: 1 MS (GC)

1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone
SpectraBase Compound ID BajFMTSWCjk
InChI InChI=1S/C24H18N4OS2/c29-22(15-30-23-25-26-24-28(23)20-11-5-6-12-21(20)31-24)27-18-9-3-1-7-16(18)13-14-17-8-2-4-10-19(17)27/h1-12H,13-15H2
InChIKey QPESYKQPZKRRFM-UHFFFAOYSA-N
Mol Weight 442.56 g/mol
Molecular Formula C24H18N4OS2
Exact Mass 442.092204 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3ZjLl5qJXH
Name 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18N4OS2
InChI InChI=1S/C24H18N4OS2/c29-22(15-30-23-25-26-24-28(23)20-11-5-6-12-21(20)31-24)27-18-9-3-1-7-16(18)13-14-17-8-2-4-10-19(17)27/h1-12H,13-15H2
InChIKey QPESYKQPZKRRFM-UHFFFAOYSA-N
Molecular Weight 442.555 g/mol
SMILES c1ccc2N(C(CSc3[n]-4c(nn3)Sc3c4cccc3)=O)c3c(CCc2c1)cccc3
SPLASH splash10-0007-4930000000-a0af66eb2e7b634ed069
Synonyms 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylthio)ethanone
Wiley ID 1442173