2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(4-methoxyphenyl)propanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one

SpectraBase Compound ID	APtgaIaI9LK
InChI	InChI=1S/C21H17F3N4O2S/c1-3-14(25-12-8-10-13(30-2)11-9-12)17-18(21(22,23)24)27-28(19(17)29)20-26-15-6-4-5-7-16(15)31-20/h4-11,27H,3H2,1-2H3/b25-14+
InChIKey	LVIVRHLTRAQGTI-AFUMVMLFSA-N Google Search
Mol Weight	446.45 g/mol
Molecular Formula	C21H17F3N4O2S
Exact Mass	446.102431 g/mol

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SpectraBase Spectrum ID	AvG8Xh73WTx
Name	2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(4-methoxyphenyl)propanimidoyl]-5-(trifluoromethyl)-1,2-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/C21H17F3N4O2S/c1-3-14(25-12-8-10-13(30-2)11-9-12)17-18(21(22,23)24)27-28(19(17)29)20-26-15-6-4-5-7-16(15)31-20/h4-11,27H,3H2,1-2H3/b25-14+
InChIKey	LVIVRHLTRAQGTI-AFUMVMLFSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_8172
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/9029592; UBI_ID: UBI-008175
Synonyms	2-(1,3-benzothiazol-2-yl)-4-[N-(4-methoxyphenyl)propanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Temperature	318 °C