(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(4-toluidino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

SpectraBase Compound ID	LesXOop6KM
InChI	InChI=1S/C20H15F3N4OS/c1-11-7-9-13(10-8-11)24-12(2)16-17(20(21,22)23)26-27(18(16)28)19-25-14-5-3-4-6-15(14)29-19/h3-10,24H,1-2H3/b16-12+
InChIKey	MVMYUMHYRYIKAZ-FOWTUZBSSA-N Google Search
Mol Weight	416.42 g/mol
Molecular Formula	C20H15F3N4OS
Exact Mass	416.091867 g/mol

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SpectraBase Spectrum ID	6JzzVrB1Oqm
Name	(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(4-toluidino)ethylidene]-5-(trifluoromethyl)-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/C20H15F3N4OS/c1-11-7-9-13(10-8-11)24-12(2)16-17(20(21,22)23)26-27(18(16)28)19-25-14-5-3-4-6-15(14)29-19/h3-10,24H,1-2H3/b16-12+
InChIKey	MVMYUMHYRYIKAZ-FOWTUZBSSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_8423
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/9030161; UBI_ID: UBI-008426
Synonyms	2-(1,3-benzothiazol-2-yl)-4-[1-(4-toluidino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Temperature	318 °C