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4-({(E)-[4-(benzyloxy)phenyl]methylidene}amino)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 7G9XPEQlVfH
InChI InChI=1S/C25H20N6OS/c33-25-30-29-24(23-15-22(27-28-23)20-9-5-2-6-10-20)31(25)26-16-18-11-13-21(14-12-18)32-17-19-7-3-1-4-8-19/h1-16H,17H2,(H,27,28)(H,30,33)/b26-16+
InChIKey XDJVAMMOHJCMNX-WGOQTCKBSA-N
Mol Weight 452.54 g/mol
Molecular Formula C25H20N6OS
Exact Mass 452.14193 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FgcuyrjVGMq
Name 4-({(E)-[4-(benzyloxy)phenyl]methylidene}amino)-5-(3-phenyl-1H-pyrazol-5-yl)-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/C25H20N6OS/c33-25-30-29-24(23-15-22(27-28-23)20-9-5-2-6-10-20)31(25)26-16-18-11-13-21(14-12-18)32-17-19-7-3-1-4-8-19/h1-16H,17H2,(H,27,28)(H,30,33)/b26-16+
InChIKey XDJVAMMOHJCMNX-WGOQTCKBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10529
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: E00580; Labnumber: GRES-15385; SBI_ID: SBI-010532
Synonyms 4-({(E)-[4-(benzyloxy)phenyl]methylidene}amino)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-({[4-(benzyloxy)phenyl]methylidene}amino)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C