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4-{[(E,2Z)-2-chloro-3-phenyl-2-propenylidene]amino}-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 7OiMRx4nR0R
InChI InChI=1S/C20H15ClN6S/c21-16(11-14-7-3-1-4-8-14)13-22-27-19(25-26-20(27)28)18-12-17(23-24-18)15-9-5-2-6-10-15/h1-13H,(H,23,24)(H,26,28)/b16-11-,22-13+
InChIKey HYHKEFFJQAONKP-HNYPPXODSA-N
Mol Weight 406.9 g/mol
Molecular Formula C20H15ClN6S
Exact Mass 406.076743 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 60sOFj8zYeU
Name 4-{[(E,2Z)-2-chloro-3-phenyl-2-propenylidene]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/C20H15ClN6S/c21-16(11-14-7-3-1-4-8-14)13-22-27-19(25-26-20(27)28)18-12-17(23-24-18)15-9-5-2-6-10-15/h1-13H,(H,23,24)(H,26,28)/b16-11-,22-13+
InChIKey HYHKEFFJQAONKP-HNYPPXODSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4004
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: E00482; Labnumber: GRES-07725; SBI_ID: SBI-004006
Synonyms 4-{[(E,2Z)-2-chloro-3-phenyl-2-propenylidene]amino}-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[2-chloro-3-phenyl-2-propenylidene]amino}-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C