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4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID DiGC7pQhe4t
InChI InChI=1S/C15H12BrN5OS/c1-22-13-6-5-10(8-11(13)16)9-18-21-14(19-20-15(21)23)12-4-2-3-7-17-12/h2-9H,1H3,(H,20,23)/b18-9+
InChIKey ZTOALYBVRLXJSG-GIJQJNRQSA-N
Mol Weight 390.26 g/mol
Molecular Formula C15H12BrN5OS
Exact Mass 388.994594 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9uKs1IcLQAI
Name 4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(2-pyridinyl)-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/C15H12BrN5OS/c1-22-13-6-5-10(8-11(13)16)9-18-21-14(19-20-15(21)23)12-4-2-3-7-17-12/h2-9H,1H3,(H,20,23)/b18-9+
InChIKey ZTOALYBVRLXJSG-GIJQJNRQSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16754
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: D24861; Labnumber: GRES-02873; SBI_ID: SBI-016757
Synonyms 4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
Temperature 315 °C