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(5E)-1-(3-chlorophenyl)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5E)-1-(3-chlorophenyl)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 8JGYjMuBbXR
InChI InChI=1S/C24H20ClN3O2S/c1-14-7-9-19(10-8-14)27-15(2)11-17(16(27)3)12-21-22(29)26-24(31)28(23(21)30)20-6-4-5-18(25)13-20/h4-13H,1-3H3,(H,26,29,31)/b21-12+
InChIKey JDOBOCKEVQXGQN-CIAFOILYSA-N
Mol Weight 449.96 g/mol
Molecular Formula C24H20ClN3O2S
Exact Mass 449.096476 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lm3xFTBvfVt
Name (5E)-1-(3-chlorophenyl)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/C24H20ClN3O2S/c1-14-7-9-19(10-8-14)27-15(2)11-17(16(27)3)12-21-22(29)26-24(31)28(23(21)30)20-6-4-5-18(25)13-20/h4-13H,1-3H3,(H,26,29,31)/b21-12+
InChIKey JDOBOCKEVQXGQN-CIAFOILYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1636
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/1007882; UBI_ID: UBI-001637
Synonyms 1-(3-chlorophenyl)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 315 °C