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(5E)-5-({4-bromo-5-[(4-chlorophenyl)sulfanyl]-2-furyl}methylene)-1-(2,4-dimethylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5E)-5-({4-bromo-5-[(4-chlorophenyl)sulfanyl]-2-furyl}methylene)-1-(2,4-dimethylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID AaGqQKN51Fz
InChI InChI=1S/C23H16BrClN2O3S2/c1-12-3-8-19(13(2)9-12)27-21(29)17(20(28)26-23(27)31)10-15-11-18(24)22(30-15)32-16-6-4-14(25)5-7-16/h3-11H,1-2H3,(H,26,28,31)/b17-10+
InChIKey JNKCKGWEGLEFQK-LICLKQGHSA-N
Mol Weight 547.87 g/mol
Molecular Formula C23H16BrClN2O3S2
Exact Mass 545.947425 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J9MBtrUvhXe
Name (5E)-5-({4-bromo-5-[(4-chlorophenyl)sulfanyl]-2-furyl}methylene)-1-(2,4-dimethylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H16BrClN2O3S2/c1-12-3-8-19(13(2)9-12)27-21(29)17(20(28)26-23(27)31)10-15-11-18(24)22(30-15)32-16-6-4-14(25)5-7-16/h3-11H,1-2H3,(H,26,28,31)/b17-10+
InChIKey JNKCKGWEGLEFQK-LICLKQGHSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11524
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: 1003920; UBI_ID: UBI-011527
Synonyms 5-({4-bromo-5-[(4-chlorophenyl)sulfanyl]-2-furyl}methylene)-1-(2,4-dimethylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 318 °C