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

SpectraBase Compound ID	7TdhnojDnZn
InChI	InChI=1S/C30H30N6O4S/c1-21(37)29(33-31-24-14-16-26(17-15-24)36(38)39)41-30-34-32-28(35(30)25-10-6-3-7-11-25)20-40-27-18-12-23(13-19-27)22-8-4-2-5-9-22/h3,6-7,10-19,22,31H,2,4-5,8-9,20H2,1H3/b33-29+
InChIKey	VJDDDCKVDABRTF-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	wcoUE8uZuQ
Name	5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl (1E)-N-(4-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(33-31-24-14-16-26(17-15-24)36(38)39)41-30-34-32-28(35(30)25-10-6-3-7-11-25)20-40-27-18-12-23(13-19-27)22-8-4-2-5-9-22/h3,6-7,10-19,22,31H,2,4-5,8-9,20H2,1H3/b33-29+
InChIKey	VJDDDCKVDABRTF-XPXRSFDGSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_6240
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: 122803; Labnumber: SPGAL3-0008; VK_ID: VK-006243
Synonyms	5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl N-(4-nitrophenyl)-2-oxopropanehydrazonothioate
Temperature	308 °C