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3H-pyrazol-3-one, 2,4-dihydro-4-[1-[[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]amino]ethylidene]-2-phenyl-5-propyl-, (4Z)-

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3H-pyrazol-3-one, 2,4-dihydro-4-[1-[[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]amino]ethylidene]-2-phenyl-5-propyl-, (4Z)-
SpectraBase Compound ID 99yKDtDV8c2
InChI InChI=1S/C21H27N5OS/c1-4-8-18-20(21(27)26(25-18)17-9-6-5-7-10-17)16(3)22-11-12-28-13-19-15(2)23-14-24-19/h5-7,9-10,14,22H,4,8,11-13H2,1-3H3,(H,23,24)/b20-16-
InChIKey OKIYPNFJLQIFAJ-SILNSSARSA-N
Mol Weight 397.54 g/mol
Molecular Formula C21H27N5OS
Exact Mass 397.193632 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CMc71rka5ma
Name 3H-pyrazol-3-one, 2,4-dihydro-4-[1-[[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]amino]ethylidene]-2-phenyl-5-propyl-, (4Z)-
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/C21H27N5OS/c1-4-8-18-20(21(27)26(25-18)17-9-6-5-7-10-17)16(3)22-11-12-28-13-19-15(2)23-14-24-19/h5-7,9-10,14,22H,4,8,11-13H2,1-3H3,(H,23,24)/b20-16-
InChIKey OKIYPNFJLQIFAJ-SILNSSARSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_899
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: F06810; Labnumber: VGU-77235
Temperature 308 °C