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

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(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(3-nitroanilino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID KaNjQyL8Te8
InChI InChI=1S/C25H18ClN5O3S2/c1-15(27-17-5-4-6-18(13-17)31(33)34)23-21(14-35-19-11-9-16(26)10-12-19)29-30(24(23)32)25-28-20-7-2-3-8-22(20)36-25/h2-13,27H,14H2,1H3/b23-15+
InChIKey WPDACGUOKNZQBZ-HZHRSRAPSA-N
Mol Weight 536.02 g/mol
Molecular Formula C25H18ClN5O3S2
Exact Mass 535.05396 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7jhLqBuQQ61
Name (4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(3-nitroanilino)ethylidene]-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/C25H18ClN5O3S2/c1-15(27-17-5-4-6-18(13-17)31(33)34)23-21(14-35-19-11-9-16(26)10-12-19)29-30(24(23)32)25-28-20-7-2-3-8-22(20)36-25/h2-13,27H,14H2,1H3/b23-15+
InChIKey WPDACGUOKNZQBZ-HZHRSRAPSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10975
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/9079365; UBI_ID: UBI-010978
Synonyms 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(3-nitroanilino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Temperature 308 °C