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4-{[(E)-(2,5-dimethoxyphenyl)methylidene]amino}-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID Ib8YS45e49F
InChI InChI=1S/C20H18N6O2S/c1-27-15-8-9-18(28-2)14(10-15)12-21-26-19(24-25-20(26)29)17-11-16(22-23-17)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,23)(H,25,29)/b21-12+
InChIKey NDQPWOTUEGHCFR-CIAFOILYSA-N
Mol Weight 406.46 g/mol
Molecular Formula C20H18N6O2S
Exact Mass 406.121195 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AlFkHVdchbT
Name 4-{[(E)-(2,5-dimethoxyphenyl)methylidene]amino}-5-(3-phenyl-1H-pyrazol-5-yl)-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/C20H18N6O2S/c1-27-15-8-9-18(28-2)14(10-15)12-21-26-19(24-25-20(26)29)17-11-16(22-23-17)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,23)(H,25,29)/b21-12+
InChIKey NDQPWOTUEGHCFR-CIAFOILYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4001
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: E00467; Labnumber: GRES-06430; SBI_ID: SBI-004003
Synonyms 4-{[(E)-(2,5-dimethoxyphenyl)methylidene]amino}-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(2,5-dimethoxyphenyl)methylidene]amino}-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C