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

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3H-pyrazol-3-one, 2-(2-benzothiazolyl)-2,4-dihydro-5-methyl-4-[1-[[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]amino]ethylidene]-, (4Z)-
SpectraBase Compound ID HsePJq55vL1
InChI InChI=1S/C20H22N6OS2/c1-12-16(23-11-22-12)10-28-9-8-21-13(2)18-14(3)25-26(19(18)27)20-24-15-6-4-5-7-17(15)29-20/h4-7,11,21H,8-10H2,1-3H3,(H,22,23)/b18-13-
InChIKey YCPSMUJBHAMYGV-AQTBWJFISA-N
Mol Weight 426.56 g/mol
Molecular Formula C20H22N6OS2
Exact Mass 426.129652 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BOotQ9WfIuw
Name 3H-pyrazol-3-one, 2-(2-benzothiazolyl)-2,4-dihydro-5-methyl-4-[1-[[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]amino]ethylidene]-, (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/C20H22N6OS2/c1-12-16(23-11-22-12)10-28-9-8-21-13(2)18-14(3)25-26(19(18)27)20-24-15-6-4-5-7-17(15)29-20/h4-7,11,21H,8-10H2,1-3H3,(H,22,23)/b18-13-
InChIKey YCPSMUJBHAMYGV-AQTBWJFISA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_871
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: F06776; Labnumber: VGU-76658