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4-({(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-5-[4-(dimethylamino)phenyl]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 5BgYrF58A62
InChI InChI=1S/C25H25N5O2S/c1-29(2)21-12-10-20(11-13-21)24-27-28-25(33)30(24)26-16-19-9-14-22(23(15-19)31-3)32-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H,28,33)/b26-16+
InChIKey RACAGRPPZCSNDJ-WGOQTCKBSA-N
Mol Weight 459.57 g/mol
Molecular Formula C25H25N5O2S
Exact Mass 459.172896 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LLZffl512uJ
Name 4-({(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-5-[4-(dimethylamino)phenyl]-4H-1,2,4-triazole-3-thiol
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H25N5O2S/c1-29(2)21-12-10-20(11-13-21)24-27-28-25(33)30(24)26-16-19-9-14-22(23(15-19)31-3)32-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H,28,33)/b26-16+
InChIKey RACAGRPPZCSNDJ-WGOQTCKBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16444
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D25292; Labnumber: GRES-03352; SBI_ID: SBI-016447
Synonyms 4-({(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-5-[4-(dimethylamino)phenyl]-4H-1,2,4-triazol-3-yl hydrosulfide4-({[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-5-[4-(dimethylamino)phenyl]-4H-1,2,4-triazole-3-thiol
Temperature 318 °C