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{[5-(2-{5-[(cyanomethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}-1,2-dihydroxyethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile

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{[5-(2-{5-[(cyanomethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}-1,2-dihydroxyethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
SpectraBase Compound ID 8uhNtjbOYxk
InChI InChI=1S/C22H18N8O2S2/c23-11-13-33-21-27-25-19(29(21)15-7-3-1-4-8-15)17(31)18(32)20-26-28-22(34-14-12-24)30(20)16-9-5-2-6-10-16/h1-10,17-18,31-32H,13-14H2
InChIKey JUCWATUTNHPDTE-UHFFFAOYSA-N
Mol Weight 490.56 g/mol
Molecular Formula C22H18N8O2S2
Exact Mass 490.099414 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HsPGqZe4Mrz
Name {[5-(2-{5-[(cyanomethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}-1,2-dihydroxyethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
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/C22H18N8O2S2/c23-11-13-33-21-27-25-19(29(21)15-7-3-1-4-8-15)17(31)18(32)20-26-28-22(34-14-12-24)30(20)16-9-5-2-6-10-16/h1-10,17-18,31-32H,13-14H2
InChIKey JUCWATUTNHPDTE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6371
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: NMR/11252340; Labnumber: LP-2110906; IOH_ID: IOH-006372