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N-Phenyl-10-(3'-methoxyphenyl)-(1,2,4)-triazolo[3',4' : 2,3]thiadiazepino[6,7-c]quinolin-6(5H)-one
SpectraBase Compound ID G958i4JP1Y8
InChI InChI=1S/C25H17N5O2S/c1-32-18-11-7-8-16(14-18)23-27-28-25-30(23)26-15-20-22(33-25)19-12-5-6-13-21(19)29(24(20)31)17-9-3-2-4-10-17/h2-15H,1H3
InChIKey NSEINTYGDBDSKJ-UHFFFAOYSA-N
Mol Weight 451.5 g/mol
Molecular Formula C25H17N5O2S
Exact Mass 451.110296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kiOrJVXoDU
Name N-Phenyl-10-(3'-methoxyphenyl)-(1,2,4)-triazolo[3',4' : 2,3]thiadiazepino[6,7-c]quinolin-6(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H17N5O2S
InChI InChI=1S/C25H17N5O2S/c1-32-18-11-7-8-16(14-18)23-27-28-25-30(23)26-15-20-22(33-25)19-12-5-6-13-21(19)29(24(20)31)17-9-3-2-4-10-17/h2-15H,1H3
InChIKey NSEINTYGDBDSKJ-UHFFFAOYSA-N
Molecular Weight 451.504 g/mol
SMILES c12[n](N=CC=3C(N(c4c(C3S2)cccc4)c2ccccc2)=O)c(nn1)-c1cc(OC)ccc1
SPLASH splash10-0udi-0102900000-41a777075da5e09ec0d0
Source of Spectrum OP-25-661-4
Wiley ID 850461