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N-Ethyl-10-(4'-methoxyphenyl)-(1,2,4)-triazolo[3',4' : 2,3]thiadiazepino[6,7-c]quinolin-6(5H)-one
SpectraBase Compound ID EsVZ6yWXjwT
InChI InChI=1S/C21H17N5O2S/c1-3-25-17-7-5-4-6-15(17)18-16(20(25)27)12-22-26-19(23-24-21(26)29-18)13-8-10-14(28-2)11-9-13/h4-12H,3H2,1-2H3
InChIKey MCHHIRXQZMFRQC-UHFFFAOYSA-N
Mol Weight 403.46 g/mol
Molecular Formula C21H17N5O2S
Exact Mass 403.110296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FVCilm0WQ9e
Name N-Ethyl-10-(4'-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 C21H17N5O2S
InChI InChI=1S/C21H17N5O2S/c1-3-25-17-7-5-4-6-15(17)18-16(20(25)27)12-22-26-19(23-24-21(26)29-18)13-8-10-14(28-2)11-9-13/h4-12H,3H2,1-2H3
InChIKey MCHHIRXQZMFRQC-UHFFFAOYSA-N
Molecular Weight 403.460 g/mol
SMILES c12[n](N=CC=3C(N(c4c(C3S2)cccc4)CC)=O)c(nn1)-c1ccc(cc1)OC
SPLASH splash10-0udi-0120900000-8cd108c418a7ea765e4b
Source of Spectrum OP-25-661-4
Wiley ID 850465