4-{(E)-[({[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-2,6-dimethoxyphenyl acetate

SpectraBase Compound ID	3bJxBxngSyj
InChI	InChI=1S/C29H29N5O6S/c1-5-39-23-13-11-22(12-14-23)34-28(21-9-7-6-8-10-21)32-33-29(34)41-18-26(36)31-30-17-20-15-24(37-3)27(40-19(2)35)25(16-20)38-4/h6-17H,5,18H2,1-4H3,(H,31,36)/b30-17+
InChIKey	KVOLWIDKPIOXMH-OCSSWDANSA-N Google Search
Mol Weight	575.64 g/mol
Molecular Formula	C29H29N5O6S
Exact Mass	575.183855 g/mol

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SpectraBase Spectrum ID	HJqxqLcJMZy
Name	4-{(E)-[({[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-2,6-dimethoxyphenyl acetate
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/C29H29N5O6S/c1-5-39-23-13-11-22(12-14-23)34-28(21-9-7-6-8-10-21)32-33-29(34)41-18-26(36)31-30-17-20-15-24(37-3)27(40-19(2)35)25(16-20)38-4/h6-17H,5,18H2,1-4H3,(H,31,36)/b30-17+
InChIKey	KVOLWIDKPIOXMH-OCSSWDANSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_5839
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: D23826; Labnumber: GRES-01549; SBI_ID: SBI-005842
Synonyms	4-{[({[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-2,6-dimethoxyphenyl acetate
Temperature	308 °C