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4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-[4-(dimethylamino)phenyl]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 5ldTsBZwI93
InChI InChI=1S/C18H18BrN5OS/c1-23(2)15-7-4-12(5-8-15)17-21-22-18(26)24(17)20-11-13-10-14(19)6-9-16(13)25-3/h4-11H,1-3H3,(H,22,26)/b20-11+
InChIKey WBSBZLMPWBYEQL-RGVLZGJSSA-N
Mol Weight 432.34 g/mol
Molecular Formula C18H18BrN5OS
Exact Mass 431.041544 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DdFG6vt8NLp
Name 4-{[(E)-(5-bromo-2-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/C18H18BrN5OS/c1-23(2)15-7-4-12(5-8-15)17-21-22-18(26)24(17)20-11-13-10-14(19)6-9-16(13)25-3/h4-11H,1-3H3,(H,22,26)/b20-11+
InChIKey WBSBZLMPWBYEQL-RGVLZGJSSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16936
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: D25293; Labnumber: GRES-03353; SBI_ID: SBI-016939
Synonyms 4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-[4-(dimethylamino)phenyl]-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(5-bromo-2-methoxyphenyl)methylidene]amino}-5-[4-(dimethylamino)phenyl]-4H-1,2,4-triazole-3-thiol
Temperature 315 °C