acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(3-bromophenyl)ethylidene]hydrazide

SpectraBase Compound ID	6PLzH9n2aKd
InChI	InChI=1S/C25H22BrN5OS/c1-17-11-13-19(14-12-17)24-29-30-25(31(24)22-9-4-3-5-10-22)33-16-23(32)28-27-18(2)20-7-6-8-21(26)15-20/h3-15H,16H2,1-2H3,(H,28,32)/b27-18+
InChIKey	NMBLUAVLOJNHND-OVVQPSECSA-N Google Search
Mol Weight	520.45 g/mol
Molecular Formula	C25H22BrN5OS
Exact Mass	519.072845 g/mol

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SpectraBase Spectrum ID	JItk7f6aOzp
Name	acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(3-bromophenyl)ethylidene]hydrazide
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/C25H22BrN5OS/c1-17-11-13-19(14-12-17)24-29-30-25(31(24)22-9-4-3-5-10-22)33-16-23(32)28-27-18(2)20-7-6-8-21(26)15-20/h3-15H,16H2,1-2H3,(H,28,32)/b27-18+
InChIKey	NMBLUAVLOJNHND-OVVQPSECSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_5245
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: NMR/10249117