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2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide

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2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID 8t7bYsmhMcX
InChI InChI=1S/C27H26ClN5O5S/c1-35-21-11-5-17(6-12-21)26-31-32-27(33(26)20-9-7-19(28)8-10-20)39-16-25(34)30-29-15-18-13-23(37-3)24(38-4)14-22(18)36-2/h5-15H,16H2,1-4H3,(H,30,34)/b29-15+
InChIKey CZKGPSAGRRUXRI-WKULSOCRSA-N
Mol Weight 568.05 g/mol
Molecular Formula C27H26ClN5O5S
Exact Mass 567.134318 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3SmXbJPGiDd
Name 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide
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/C27H26ClN5O5S/c1-35-21-11-5-17(6-12-21)26-31-32-27(33(26)20-9-7-19(28)8-10-20)39-16-25(34)30-29-15-18-13-23(37-3)24(38-4)14-22(18)36-2/h5-15H,16H2,1-4H3,(H,30,34)/b29-15+
InChIKey CZKGPSAGRRUXRI-WKULSOCRSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16630
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: D23780; Labnumber: GRES-01502; SBI_ID: SBI-016633
Synonyms 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Temperature 315 °C