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N-Ethyl-10-(3'-methoxyphenyl)-(1,2,4)-triazolo[3',4' : 2,3]thiadiazepino[6,7-c]quinolin-6(5H)-one
SpectraBase Compound ID 1ivbJf3pvXL
InChI InChI=1S/C21H17N5O2S/c1-3-25-17-10-5-4-9-15(17)18-16(20(25)27)12-22-26-19(23-24-21(26)29-18)13-7-6-8-14(11-13)28-2/h4-12H,3H2,1-2H3
InChIKey LAEREMZOGGEFCK-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 FVlnQYMzBnt
Name N-Ethyl-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 C21H17N5O2S
InChI InChI=1S/C21H17N5O2S/c1-3-25-17-10-5-4-9-15(17)18-16(20(25)27)12-22-26-19(23-24-21(26)29-18)13-7-6-8-14(11-13)28-2/h4-12H,3H2,1-2H3
InChIKey LAEREMZOGGEFCK-UHFFFAOYSA-N
Molecular Weight 403.460 g/mol
SMILES c12[n](N=CC=3C(N(c4c(C3S2)cccc4)CC)=O)c(nn1)-c1cc(OC)ccc1
SPLASH splash10-0udi-0120900000-60b10cf74af6c8559ec3
Source of Spectrum OP-25-661-4
Wiley ID 850466