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4-({(E)-[4-(benzyloxy)phenyl]methylidene}amino)-5-[4-(dimethylamino)phenyl]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID ChxiJIZURDh
InChI InChI=1S/C24H23N5OS/c1-28(2)21-12-10-20(11-13-21)23-26-27-24(31)29(23)25-16-18-8-14-22(15-9-18)30-17-19-6-4-3-5-7-19/h3-16H,17H2,1-2H3,(H,27,31)/b25-16+
InChIKey DXLZMYFMUFHSPF-PCLIKHOPSA-N
Mol Weight 429.54 g/mol
Molecular Formula C24H23N5OS
Exact Mass 429.162332 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9smAjqn2Rbr
Name 4-({(E)-[4-(benzyloxy)phenyl]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/C24H23N5OS/c1-28(2)21-12-10-20(11-13-21)23-26-27-24(31)29(23)25-16-18-8-14-22(15-9-18)30-17-19-6-4-3-5-7-19/h3-16H,17H2,1-2H3,(H,27,31)/b25-16+
InChIKey DXLZMYFMUFHSPF-PCLIKHOPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16441
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: D25284; Labnumber: GRES-03340; SBI_ID: SBI-016444
Synonyms 4-({(E)-[4-(benzyloxy)phenyl]methylidene}amino)-5-[4-(dimethylamino)phenyl]-4H-1,2,4-triazol-3-yl hydrosulfide4-({[4-(benzyloxy)phenyl]methylidene}amino)-5-[4-(dimethylamino)phenyl]-4H-1,2,4-triazole-3-thiol
Temperature 318 °C