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5-((2E)-2-{[1-(4-chlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]methylene}hydrazino)-3-(methylsulfanyl)-4-isothiazolecarbonitrile

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5-((2E)-2-{[1-(4-chlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]methylene}hydrazino)-3-(methylsulfanyl)-4-isothiazolecarbonitrile
SpectraBase Compound ID 98324lBsCNN
InChI InChI=1S/C22H17ClN6S2/c1-30-22-19(11-24)21(31-28-22)26-25-12-17-14-29(13-15-7-9-18(23)10-8-15)27-20(17)16-5-3-2-4-6-16/h2-10,12,14,26H,13H2,1H3/b25-12+
InChIKey OQWGWZLHOMKLAS-BRJLIKDPSA-N
Mol Weight 464.99 g/mol
Molecular Formula C22H17ClN6S2
Exact Mass 464.064465 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Btna5DWHUw9
Name 5-((2E)-2-{[1-(4-chlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]methylene}hydrazino)-3-(methylsulfanyl)-4-isothiazolecarbonitrile
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/C22H17ClN6S2/c1-30-22-19(11-24)21(31-28-22)26-25-12-17-14-29(13-15-7-9-18(23)10-8-15)27-20(17)16-5-3-2-4-6-16/h2-10,12,14,26H,13H2,1H3/b25-12+
InChIKey OQWGWZLHOMKLAS-BRJLIKDPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16760
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/8178926; UBI_ID: UBI-016763
Synonyms 5-(2-{[1-(4-chlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]methylene}hydrazino)-3-(methylsulfanyl)-4-isothiazolecarbonitrile
Temperature 318 °C