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N-benzyl-2-({(4E)-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamide
SpectraBase Compound ID LDGMDWahcQz
InChI InChI=1S/C23H21N5O2S/c1-27-15-18(14-25-27)12-20-22(30)28(19-10-6-3-7-11-19)23(26-20)31-16-21(29)24-13-17-8-4-2-5-9-17/h2-12,14-15H,13,16H2,1H3,(H,24,29)/b20-12+
InChIKey PEDSEOSJPFATBW-UDWIEESQSA-N
Mol Weight 431.51 g/mol
Molecular Formula C23H21N5O2S
Exact Mass 431.141596 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GAIZtEMyJJA
Name N-benzyl-2-({(4E)-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)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/C23H21N5O2S/c1-27-15-18(14-25-27)12-20-22(30)28(19-10-6-3-7-11-19)23(26-20)31-16-21(29)24-13-17-8-4-2-5-9-17/h2-12,14-15H,13,16H2,1H3,(H,24,29)/b20-12+
InChIKey PEDSEOSJPFATBW-UDWIEESQSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11559
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/1265943; Labnumber: NIV1589; UZI_ID: UZI-011561
Synonyms N-benzyl-2-({4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamide
Temperature 308 °C