(4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

SpectraBase Compound ID	5rr3YDXNHgq
InChI	InChI=1S/C20H21F3N4OS/c21-20(22,23)17-14(12-24-13-8-4-2-1-3-5-9-13)18(28)27(26-17)19-25-15-10-6-7-11-16(15)29-19/h6-7,10-13,24H,1-5,8-9H2/b14-12-
InChIKey	WTJFNEITEBZSNV-OWBHPGMISA-N Google Search
Mol Weight	422.47 g/mol
Molecular Formula	C20H21F3N4OS
Exact Mass	422.138817 g/mol

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SpectraBase Spectrum ID	CVtaXJUoWtg
Name	(4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylene]-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/C20H21F3N4OS/c21-20(22,23)17-14(12-24-13-8-4-2-1-3-5-9-13)18(28)27(26-17)19-25-15-10-6-7-11-16(15)29-19/h6-7,10-13,24H,1-5,8-9H2/b14-12-
InChIKey	WTJFNEITEBZSNV-OWBHPGMISA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_1495
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/8013028; UBI_ID: UBI-001496
Synonyms	2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Temperature	308 °C