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

SpectraBase Compound ID	KINnwPUvTA6
InChI	InChI=1S/C30H31N5O4S/c1-30(2,3)23-12-10-21(11-13-23)27-33-34-29(35(27)24-14-16-25(38-4)17-15-24)40-19-26(36)32-31-18-20-6-8-22(9-7-20)28(37)39-5/h6-18H,19H2,1-5H3,(H,32,36)/b31-18+
InChIKey	JMQXIAUFLLVGJM-FDAWAROLSA-N Google Search
Mol Weight	557.67 g/mol
Molecular Formula	C30H31N5O4S
Exact Mass	557.209676 g/mol

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SpectraBase Spectrum ID	2O4SfpiSiIw
Name	methyl 4-{(E)-[({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-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/C30H31N5O4S/c1-30(2,3)23-12-10-21(11-13-23)27-33-34-29(35(27)24-14-16-25(38-4)17-15-24)40-19-26(36)32-31-18-20-6-8-22(9-7-20)28(37)39-5/h6-18H,19H2,1-5H3,(H,32,36)/b31-18+
InChIKey	JMQXIAUFLLVGJM-FDAWAROLSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_6678
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: D23929; Labnumber: GRES-01653; SBI_ID: SBI-006681
Synonyms	methyl 4-{[({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}benzoate
Temperature	318 °C