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

SpectraBase Compound ID	EswMTDclIjy
InChI	InChI=1S/C30H30N6O4S/c1-21(37)29(33-31-26-14-8-9-15-27(26)36(38)39)41-30-34-32-28(35(30)24-12-6-3-7-13-24)20-40-25-18-16-23(17-19-25)22-10-4-2-5-11-22/h3,6-9,12-19,22,31H,2,4-5,10-11,20H2,1H3/b33-29+
InChIKey	OBYQGSDIJNSBRN-XPXRSFDGSA-N Google Search
Mol Weight	570.67 g/mol
Molecular Formula	C30H30N6O4S
Exact Mass	570.204925 g/mol

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SpectraBase Spectrum ID	3SgmRPPCBYh
Name	5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl (1E)-N-(2-nitrophenyl)-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/C30H30N6O4S/c1-21(37)29(33-31-26-14-8-9-15-27(26)36(38)39)41-30-34-32-28(35(30)24-12-6-3-7-13-24)20-40-25-18-16-23(17-19-25)22-10-4-2-5-11-22/h3,6-9,12-19,22,31H,2,4-5,10-11,20H2,1H3/b33-29+
InChIKey	OBYQGSDIJNSBRN-XPXRSFDGSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_6239
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: 122802; Labnumber: SPGAL3-0007; VK_ID: VK-006242
Synonyms	5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl N-(2-nitrophenyl)-2-oxopropanehydrazonothioate
Temperature	308 °C