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N'-((E)-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene)-4-bromo-1-methyl-1H-pyrazole-3-carbohydrazide

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N'-((E)-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene)-4-bromo-1-methyl-1H-pyrazole-3-carbohydrazide
SpectraBase Compound ID 6Rhe7YYxDoP
InChI InChI=1S/C21H18BrN5O2S2/c1-27-11-15(22)19(26-27)20(28)25-23-10-13-7-8-17(29-2)14(9-13)12-30-21-24-16-5-3-4-6-18(16)31-21/h3-11H,12H2,1-2H3,(H,25,28)/b23-10+
InChIKey LEMCXGQBTNFPDB-AUEPDCJTSA-N
Mol Weight 516.43 g/mol
Molecular Formula C21H18BrN5O2S2
Exact Mass 515.00853 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GIASvvdpNz1
Name N'-((E)-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene)-4-bromo-1-methyl-1H-pyrazole-3-carbohydrazide
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/C21H18BrN5O2S2/c1-27-11-15(22)19(26-27)20(28)25-23-10-13-7-8-17(29-2)14(9-13)12-30-21-24-16-5-3-4-6-18(16)31-21/h3-11H,12H2,1-2H3,(H,25,28)/b23-10+
InChIKey LEMCXGQBTNFPDB-AUEPDCJTSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2523
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: UZI/8053258; UBI_ID: UBI-002524
Synonyms N'-({3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene)-4-bromo-1-methyl-1H-pyrazole-3-carbohydrazide
Temperature 308 °C