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2-{2,5-dimethyl-3-[(E)-(5-oxo-2-thioxo-4-imidazolidinylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

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2-{2,5-dimethyl-3-[(E)-(5-oxo-2-thioxo-4-imidazolidinylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
SpectraBase Compound ID GFtyp4eMMeb
InChI InChI=1S/C19H18N4OS2/c1-10-7-12(8-15-17(24)22-19(25)21-15)11(2)23(10)18-14(9-20)13-5-3-4-6-16(13)26-18/h7-8H,3-6H2,1-2H3,(H2,21,22,24,25)/b15-8+
InChIKey LOMCRALKFFEJSZ-OVCLIPMQSA-N
Mol Weight 382.5 g/mol
Molecular Formula C19H18N4OS2
Exact Mass 382.092204 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7ru3llQH1cS
Name 2-{2,5-dimethyl-3-[(E)-(5-oxo-2-thioxo-4-imidazolidinylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
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/C19H18N4OS2/c1-10-7-12(8-15-17(24)22-19(25)21-15)11(2)23(10)18-14(9-20)13-5-3-4-6-16(13)26-18/h7-8H,3-6H2,1-2H3,(H2,21,22,24,25)/b15-8+
InChIKey LOMCRALKFFEJSZ-OVCLIPMQSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9358
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: 133302; Labnumber: AREF-019890; VK_ID: VK-009362
Synonyms 2-{2,5-dimethyl-3-[(5-oxo-2-thioxo-4-imidazolidinylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Temperature 308 °C