2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide

SpectraBase Compound ID	4svH1kK9GZQ
InChI	InChI=1S/C25H26F3N5OS/c1-17-11-13-18(14-12-17)23-31-32-24(33(23)20-8-3-2-4-9-20)35-16-22(34)30-29-15-19-7-5-6-10-21(19)25(26,27)28/h5-7,10-15,20H,2-4,8-9,16H2,1H3,(H,30,34)/b29-15+
InChIKey	AFNBJXILNRQJDZ-WKULSOCRSA-N Google Search
Mol Weight	501.57 g/mol
Molecular Formula	C25H26F3N5OS
Exact Mass	501.181016 g/mol

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SpectraBase Spectrum ID	IcnNtl1lR3f
Name	2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide
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/C25H26F3N5OS/c1-17-11-13-18(14-12-17)23-31-32-24(33(23)20-8-3-2-4-9-20)35-16-22(34)30-29-15-19-7-5-6-10-21(19)25(26,27)28/h5-7,10-15,20H,2-4,8-9,16H2,1H3,(H,30,34)/b29-15+
InChIKey	AFNBJXILNRQJDZ-WKULSOCRSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_6767
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: D24407; Labnumber: GRES-02386; SBI_ID: SBI-006770
Synonyms	2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide
Temperature	318 °C