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

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(4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(4-chloroanilino)ethylidene]-5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID AsgqY5BXAV2
InChI InChI=1S/C25H18Cl2N4OS2/c1-15(28-18-10-6-16(26)7-11-18)23-21(14-33-19-12-8-17(27)9-13-19)30-31(24(23)32)25-29-20-4-2-3-5-22(20)34-25/h2-13,28H,14H2,1H3/b23-15-
InChIKey KXQYKGMSCUROHY-HAHDFKILSA-N
Mol Weight 525.47 g/mol
Molecular Formula C25H18Cl2N4OS2
Exact Mass 524.029909 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5IMJah7FKBC
Name (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(4-chloroanilino)ethylidene]-5-{[(4-chlorophenyl)sulfanyl]methyl}-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/C25H18Cl2N4OS2/c1-15(28-18-10-6-16(26)7-11-18)23-21(14-33-19-12-8-17(27)9-13-19)30-31(24(23)32)25-29-20-4-2-3-5-22(20)34-25/h2-13,28H,14H2,1H3/b23-15-
InChIKey KXQYKGMSCUROHY-HAHDFKILSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8105
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/9021879; UBI_ID: UBI-008108
Synonyms 2-(1,3-benzothiazol-2-yl)-4-[1-(4-chloroanilino)ethylidene]-5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Temperature 318 °C