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1,5-dimethyl-4-((E)-{[3-(methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

View entire compound with spectra: 1 NMR

1,5-dimethyl-4-((E)-{[3-(methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID HRJ1qNiXzkp
InChI InChI=1S/C21H20N6OS/c1-15-18(20(28)27(25(15)2)17-12-8-5-9-13-17)14-22-26-19(23-24-21(26)29-3)16-10-6-4-7-11-16/h4-14H,1-3H3/b22-14+
InChIKey TVDBIZJCSKFUPC-HYARGMPZSA-N
Mol Weight 404.49 g/mol
Molecular Formula C21H20N6OS
Exact Mass 404.14193 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Km5ZZOrn1S0
Name 1,5-dimethyl-4-((E)-{[3-(methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-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/C21H20N6OS/c1-15-18(20(28)27(25(15)2)17-12-8-5-9-13-17)14-22-26-19(23-24-21(26)29-3)16-10-6-4-7-11-16/h4-14H,1-3H3/b22-14+
InChIKey TVDBIZJCSKFUPC-HYARGMPZSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15926
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/8052840; UBI_ID: UBI-015929
Synonyms 1,5-dimethyl-4-({[3-(methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Temperature 308 °C