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1,4-Bis{4-(benzo[b]furan-3-yl)amino-5-benzyl-1,2,4-triazol-3-ylsulfanyl}butane
SpectraBase Compound ID Kx2h2RuEL8O
InChI InChI=1S/C38H34N8O2S2/c1-3-13-27(14-4-1)23-35-39-41-37(45(35)43-31-25-47-33-19-9-7-17-29(31)33)49-21-11-12-22-50-38-42-40-36(24-28-15-5-2-6-16-28)46(38)44-32-26-48-34-20-10-8-18-30(32)34/h1-10,13-20,25-26,43-44H,11-12,21-24H2
InChIKey FFHKQGMUZXJYCN-UHFFFAOYSA-N
Mol Weight 698.9 g/mol
Molecular Formula C38H34N8O2S2
Exact Mass 698.224615 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9IsKJu8anRK
Name 1,4-Bis{4-(benzo[b]furan-3-yl)amino-5-benzyl-1,2,4-triazol-3-ylsulfanyl}butane
Alternate Name(s) 5,5'-(butane-1,4-diylbis(sulfanediyl))bis(N-(benzofuran-3-yl)-3-benzyl-4H-1,2,4-triazol-4-amine)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H34N8O2S2
InChI InChI=1S/C38H34N8O2S2/c1-3-13-27(14-4-1)23-35-39-41-37(45(35)43-31-25-47-33-19-9-7-17-29(31)33)49-21-11-12-22-50-38-42-40-36(24-28-15-5-2-6-16-28)46(38)44-32-26-48-34-20-10-8-18-30(32)34/h1-10,13-20,25-26,43-44H,11-12,21-24H2
InChIKey FFHKQGMUZXJYCN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.10191
Molecular Weight 698.864 g/mol
SMILES N(c1coc2ccccc12)[n]1c(SCCCCSc2[n](Nc3coc4ccccc34)c(nn2)Cc2ccccc2)nnc1Cc1ccccc1
SPLASH splash10-03y0-9635022000-1481dde191c69bb94f8d
Source of Spectrum HAC-14-556-10b
Wiley ID 1775963