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(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one

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(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 7me2lQ4GsoF
InChI InChI=1S/C20H17ClN4OS2/c1-24(2)11-15-17(12-27-14-9-7-13(21)8-10-14)23-25(19(15)26)20-22-16-5-3-4-6-18(16)28-20/h3-11H,12H2,1-2H3/b15-11+
InChIKey GZKPFVAJNXJKKA-RVDMUPIBSA-N
Mol Weight 428.96 g/mol
Molecular Formula C20H17ClN4OS2
Exact Mass 428.053231 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8JdWtUlwh84
Name (4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one
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/C20H17ClN4OS2/c1-24(2)11-15-17(12-27-14-9-7-13(21)8-10-14)23-25(19(15)26)20-22-16-5-3-4-6-18(16)28-20/h3-11H,12H2,1-2H3/b15-11+
InChIKey GZKPFVAJNXJKKA-RVDMUPIBSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7821
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/9017426; UBI_ID: UBI-007824
Synonyms 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one
Temperature 308 °C