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

SpectraBase Compound ID	sFoM9TjpIm
InChI	InChI=1S/C17H17F3N4OS/c1-4-9(2)21-10(3)13-14(17(18,19)20)23-24(15(13)25)16-22-11-7-5-6-8-12(11)26-16/h5-9,21H,4H2,1-3H3/b13-10+
InChIKey	LMDXQDDBBRAMFE-JLHYYAGUSA-N Google Search
Mol Weight	382.41 g/mol
Molecular Formula	C17H17F3N4OS
Exact Mass	382.107517 g/mol

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SpectraBase Spectrum ID	Aan24PNNqsJ
Name	(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(sec-butylamino)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/C17H17F3N4OS/c1-4-9(2)21-10(3)13-14(17(18,19)20)23-24(15(13)25)16-22-11-7-5-6-8-12(11)26-16/h5-9,21H,4H2,1-3H3/b13-10+
InChIKey	LMDXQDDBBRAMFE-JLHYYAGUSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_8467
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/9031011; UBI_ID: UBI-008470
Synonyms	2-(1,3-benzothiazol-2-yl)-4-[1-(sec-butylamino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Temperature	318 °C