methyl 4-{(E)-[({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}benzoate

SpectraBase Compound ID	7YreGU9ZrzP
InChI	InChI=1S/C28H27N5O6S/c1-36-22-14-20(15-23(37-2)25(22)38-3)26-31-32-28(33(26)21-8-6-5-7-9-21)40-17-24(34)30-29-16-18-10-12-19(13-11-18)27(35)39-4/h5-16H,17H2,1-4H3,(H,30,34)/b29-16+
InChIKey	BDQUDRAKKINYFO-MUFRIFMGSA-N Google Search
Mol Weight	561.61 g/mol
Molecular Formula	C28H27N5O6S
Exact Mass	561.168205 g/mol

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SpectraBase Spectrum ID	8xjlK3rmstJ
Name	methyl 4-{(E)-[({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}benzoate
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/C28H27N5O6S/c1-36-22-14-20(15-23(37-2)25(22)38-3)26-31-32-28(33(26)21-8-6-5-7-9-21)40-17-24(34)30-29-16-18-10-12-19(13-11-18)27(35)39-4/h5-16H,17H2,1-4H3,(H,30,34)/b29-16+
InChIKey	BDQUDRAKKINYFO-MUFRIFMGSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16377
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: D23609; Labnumber: GRES-01221; SBI_ID: SBI-016380
Synonyms	methyl 4-{[({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}benzoate
Temperature	315 °C