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2-({(4E)-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(4-nitrophenyl)acetamide

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2-({(4E)-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
SpectraBase Compound ID K0zaqYN6tJl
InChI InChI=1S/C22H18N6O4S/c1-26-13-15(12-23-26)11-19-21(30)27(17-5-3-2-4-6-17)22(25-19)33-14-20(29)24-16-7-9-18(10-8-16)28(31)32/h2-13H,14H2,1H3,(H,24,29)/b19-11+
InChIKey QYWGQMHVIHWRKQ-YBFXNURJSA-N
Mol Weight 462.48 g/mol
Molecular Formula C22H18N6O4S
Exact Mass 462.111024 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EXdBERZGQ3
Name 2-({(4E)-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
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/C22H18N6O4S/c1-26-13-15(12-23-26)11-19-21(30)27(17-5-3-2-4-6-17)22(25-19)33-14-20(29)24-16-7-9-18(10-8-16)28(31)32/h2-13H,14H2,1H3,(H,24,29)/b19-11+
InChIKey QYWGQMHVIHWRKQ-YBFXNURJSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11555
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/1266587; Labnumber: NIV1585; UZI_ID: UZI-011557
Synonyms 2-({4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
Temperature 308 °C