N'-[(E)-(3-bromo-4-methoxyphenyl)methylidene]-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

SpectraBase Compound ID	2A20JbkMJ7g
InChI	InChI=1S/C29H30BrN5O3S/c1-29(2,3)21-9-7-20(8-10-21)27-33-34-28(35(27)22-11-13-23(37-4)14-12-22)39-18-26(36)32-31-17-19-6-15-25(38-5)24(30)16-19/h6-17H,18H2,1-5H3,(H,32,36)/b31-17+
InChIKey	PVXNCNQHJXZMFJ-KBVAKVRCSA-N Google Search
Mol Weight	608.56 g/mol
Molecular Formula	C29H30BrN5O3S
Exact Mass	607.125274 g/mol

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SpectraBase Spectrum ID	FLvMTLvKS8a
Name	N'-[(E)-(3-bromo-4-methoxyphenyl)methylidene]-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
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/C29H30BrN5O3S/c1-29(2,3)21-9-7-20(8-10-21)27-33-34-28(35(27)22-11-13-23(37-4)14-12-22)39-18-26(36)32-31-17-19-6-15-25(38-5)24(30)16-19/h6-17H,18H2,1-5H3,(H,32,36)/b31-17+
InChIKey	PVXNCNQHJXZMFJ-KBVAKVRCSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_6694
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: D23973; Labnumber: GRES-01697; SBI_ID: SBI-006697
Synonyms	N'-[(3-bromo-4-methoxyphenyl)methylidene]-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Temperature	318 °C