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[5-Amino-1-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl][4-(4-methoxyphenyl)piperazin-1-yl]methane-thione
SpectraBase Compound ID FtKUKWduuIo
InChI InChI=1S/C20H21N7O3S/c1-30-17-8-6-14(7-9-17)24-10-12-25(13-11-24)20(31)18-19(21)26(23-22-18)15-2-4-16(5-3-15)27(28)29/h2-9H,10-13,21H2,1H3
InChIKey GAHQNPRZEZDKRJ-UHFFFAOYSA-N
Mol Weight 439.49 g/mol
Molecular Formula C20H21N7O3S
Exact Mass 439.142659 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KyafTLWyegK
Name [5-Amino-1-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl][4-(4-methoxyphenyl)piperazin-1-yl]methane-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N7O3S
InChI InChI=1S/C20H21N7O3S/c1-30-17-8-6-14(7-9-17)24-10-12-25(13-11-24)20(31)18-19(21)26(23-22-18)15-2-4-16(5-3-15)27(28)29/h2-9H,10-13,21H2,1H3
InChIKey GAHQNPRZEZDKRJ-UHFFFAOYSA-N
Molecular Weight 439.494 g/mol
SMILES Nc1c(nn[n]1-c1ccc(N(=O)=O)cc1)C(N1CCN(CC1)c1ccc(cc1)OC)=S
SPLASH splash10-03e9-0900000000-74b4908a5cc59866e166
Source of Spectrum HC-50-976-6f
Synonyms (5-amino-1-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl)(4-(4-methoxyphenyl)piperazin-1-yl)methanethione
Wiley ID 1739860