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(5E)-3-[(1-ethyl-1H-pyrazol-4-yl)methyl]-5-{4-[2-(4-morpholinyl)ethoxy]benzylidene}-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one

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(5E)-3-[(1-ethyl-1H-pyrazol-4-yl)methyl]-5-{4-[2-(4-morpholinyl)ethoxy]benzylidene}-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
SpectraBase Compound ID 7DZJ6gTJlyq
InChI InChI=1S/C22H27N5O3S/c1-2-26-15-18(14-23-26)16-27-21(28)20(24-22(27)31)13-17-3-5-19(6-4-17)30-12-9-25-7-10-29-11-8-25/h3-6,13-15H,2,7-12,16H2,1H3,(H,24,31)/b20-13+
InChIKey GUJJQOGLAZCDJE-DEDYPNTBSA-N
Mol Weight 441.55 g/mol
Molecular Formula C22H27N5O3S
Exact Mass 441.183461 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 85fQAedNrZd
Name (5E)-3-[(1-ethyl-1H-pyrazol-4-yl)methyl]-5-{4-[2-(4-morpholinyl)ethoxy]benzylidene}-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
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/C22H27N5O3S/c1-2-26-15-18(14-23-26)16-27-21(28)20(24-22(27)31)13-17-3-5-19(6-4-17)30-12-9-25-7-10-29-11-8-25/h3-6,13-15H,2,7-12,16H2,1H3,(H,24,31)/b20-13+
InChIKey GUJJQOGLAZCDJE-DEDYPNTBSA-N
NMR Offset 17.912
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_30015
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: 1542956; SBI_ID: SBI-030019
Synonyms 3-[(1-ethyl-1H-pyrazol-4-yl)methyl]-5-{4-[2-(4-morpholinyl)ethoxy]benzylidene}-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
Temperature 303 °C