5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl (1E)-N-(2,4-dichlorophenyl)-2-oxopropanehydrazonothioate

SpectraBase Compound ID	8cIE94WWtBP
InChI	InChI=1S/C30H29Cl2N5O2S/c1-20(38)29(35-33-27-17-14-23(31)18-26(27)32)40-30-36-34-28(37(30)24-10-6-3-7-11-24)19-39-25-15-12-22(13-16-25)21-8-4-2-5-9-21/h3,6-7,10-18,21,33H,2,4-5,8-9,19H2,1H3/b35-29+
InChIKey	DOXNMYTWLOLSLM-OZMGXUMRSA-N Google Search
Mol Weight	594.56 g/mol
Molecular Formula	C30H29Cl2N5O2S
Exact Mass	593.141902 g/mol

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SpectraBase Spectrum ID	CMcuL4WetMS
Name	5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl (1E)-N-(2,4-dichlorophenyl)-2-oxopropanehydrazonothioate
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/C30H29Cl2N5O2S/c1-20(38)29(35-33-27-17-14-23(31)18-26(27)32)40-30-36-34-28(37(30)24-10-6-3-7-11-24)19-39-25-15-12-22(13-16-25)21-8-4-2-5-9-21/h3,6-7,10-18,21,33H,2,4-5,8-9,19H2,1H3/b35-29+
InChIKey	DOXNMYTWLOLSLM-OZMGXUMRSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_3625
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: 116127; Labnumber: SPGAL3-0003; VK_ID: VK-003626
Synonyms	5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl N-(2,4-dichlorophenyl)-2-oxopropanehydrazonothioate
Temperature	315 °C