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4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 5zYSkrAHWIf
InChI InChI=1S/C17H15BrN4O2S/c1-23-14-8-7-12(18)9-11(14)10-19-22-16(20-21-17(22)25)13-5-3-4-6-15(13)24-2/h3-10H,1-2H3,(H,21,25)/b19-10+
InChIKey UPUYRIIGRQKTGC-VXLYETTFSA-N
Mol Weight 419.3 g/mol
Molecular Formula C17H15BrN4O2S
Exact Mass 418.00991 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2zL0B1UPQ9b
Name 4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(2-methoxyphenyl)-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/C17H15BrN4O2S/c1-23-14-8-7-12(18)9-11(14)10-19-22-16(20-21-17(22)25)13-5-3-4-6-15(13)24-2/h3-10H,1-2H3,(H,21,25)/b19-10+
InChIKey UPUYRIIGRQKTGC-VXLYETTFSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5438
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: D25136; Labnumber: GRES-03171; SBI_ID: SBI-005440
Synonyms 4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C