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2-({2-methoxy-5-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzyl}sulfanyl)-4-methyl-6-(trifluoromethyl)nicotinonitrile

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2-({2-methoxy-5-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzyl}sulfanyl)-4-methyl-6-(trifluoromethyl)nicotinonitrile
SpectraBase Compound ID DdVZGjuLbT3
InChI InChI=1S/C20H14F3N3O2S3/c1-10-5-16(20(21,22)23)25-18(13(10)8-24)30-9-12-6-11(3-4-14(12)28-2)7-15-17(27)26-19(29)31-15/h3-7H,9H2,1-2H3,(H,26,27,29)/b15-7-
InChIKey MGAVMNPXNNXYLC-CHHVJCJISA-N
Mol Weight 481.53 g/mol
Molecular Formula C20H14F3N3O2S3
Exact Mass 481.020025 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7mIMd9xqDZ8
Name 2-({2-methoxy-5-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzyl}sulfanyl)-4-methyl-6-(trifluoromethyl)nicotinonitrile
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/C20H14F3N3O2S3/c1-10-5-16(20(21,22)23)25-18(13(10)8-24)30-9-12-6-11(3-4-14(12)28-2)7-15-17(27)26-19(29)31-15/h3-7H,9H2,1-2H3,(H,26,27,29)/b15-7-
InChIKey MGAVMNPXNNXYLC-CHHVJCJISA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2672
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: 9312601; UBI_ID: UBI-002673
Synonyms 2-({2-methoxy-5-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzyl}sulfanyl)-4-methyl-6-(trifluoromethyl)nicotinonitrile
Temperature 308 °C