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1-(4-ChloroPhenyl)-1,2,4,5-tetrahydro-[1,2,4]triazolo[3,2-d]-[1,5]benzoxazepin-2-thione
SpectraBase Compound ID DviGxveB2iz
InChI InChI=1S/C16H12ClN3OS/c17-11-5-7-12(8-6-11)19-16(22)18-15-9-10-21-14-4-2-1-3-13(14)20(15)19/h1-8H,9-10H2
InChIKey REMVVLMLIPTRDL-UHFFFAOYSA-N
Mol Weight 329.81 g/mol
Molecular Formula C16H12ClN3OS
Exact Mass 329.038961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1it8h1MuRM
Name 1-(4-ChloroPhenyl)-1,2,4,5-tetrahydro-[1,2,4]triazolo[3,2-d]-[1,5]benzoxazepin-2-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12ClN3OS
InChI InChI=1S/C16H12ClN3OS/c17-11-5-7-12(8-6-11)19-16(22)18-15-9-10-21-14-4-2-1-3-13(14)20(15)19/h1-8H,9-10H2
InChIKey REMVVLMLIPTRDL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20040220316
Molecular Weight 329.805 g/mol
SMILES C1Oc2c(N3C(C1)=NC(N3c1ccc(cc1)Cl)=S)cccc2
SPLASH splash10-0032-1509000000-9d13bc96038fbb55ecdd
Source of Spectrum CJC-22-295-7f
Synonyms 1-(4-Chlorophenyl)-4,5-dihydrobenzo[b][1,2,4]triazolo[1,5-d][1,4]oxazepine-2(1H)-thione
Wiley ID 1773934