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2-{[4-cyano-3-({2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-5-isothiazolyl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SpectraBase Compound ID G7FT1eaF2Ji
InChI InChI=1S/C16H14N6O2S5/c1-8-4-27-15(18-8)20-11(23)6-25-13-10(3-17)14(29-22-13)26-7-12(24)21-16-19-9(2)5-28-16/h4-5H,6-7H2,1-2H3,(H,18,20,23)(H,19,21,24)
InChIKey LHPLNHDJOIBQPV-UHFFFAOYSA-N
Mol Weight 482.6 g/mol
Molecular Formula C16H14N6O2S5
Exact Mass 481.97818 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FtAfQmaB7jQ
Name 2-{[4-cyano-3-({2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-5-isothiazolyl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)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/C16H14N6O2S5/c1-8-4-27-15(18-8)20-11(23)6-25-13-10(3-17)14(29-22-13)26-7-12(24)21-16-19-9(2)5-28-16/h4-5H,6-7H2,1-2H3,(H,18,20,23)(H,19,21,24)
InChIKey LHPLNHDJOIBQPV-UHFFFAOYSA-N
NMR Offset 14.638
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_3437
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: TSH/5633088; IOH_ID: IOH-003438
Temperature 297 °C