(5E)-5-{[1-(4-chlorobenzyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-4-one

SpectraBase Compound ID	BdRNDxNr5qs
InChI	InChI=1S/C21H16ClN3O2S2/c1-27-17-8-4-14(5-9-17)19-15(10-18-20(26)23-21(28)29-18)12-25(24-19)11-13-2-6-16(22)7-3-13/h2-10,12H,11H2,1H3,(H,23,26,28)/b18-10+
InChIKey	XFSTVGVXRSCETM-VCHYOVAHSA-N Google Search
Mol Weight	441.95 g/mol
Molecular Formula	C21H16ClN3O2S2
Exact Mass	441.037247 g/mol

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SpectraBase Spectrum ID	5iuJWuFIQxz
Name	(5E)-5-{[1-(4-chlorobenzyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-4-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/C21H16ClN3O2S2/c1-27-17-8-4-14(5-9-17)19-15(10-18-20(26)23-21(28)29-18)12-25(24-19)11-13-2-6-16(22)7-3-13/h2-10,12H,11H2,1H3,(H,23,26,28)/b18-10+
InChIKey	XFSTVGVXRSCETM-VCHYOVAHSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_7359
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/1269326; Labnumber: COL4909; UZI_ID: UZI-007361
Synonyms	5-{[1-(4-chlorobenzyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-4-one
Temperature	318 °C