4-bromo-2-((E)-{[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol

SpectraBase Compound ID	15KuTl7McwW
InChI	InChI=1S/C18H13BrN6OS/c19-13-6-7-16(26)12(8-13)10-20-25-17(23-24-18(25)27)15-9-14(21-22-15)11-4-2-1-3-5-11/h1-10,26H,(H,21,22)(H,24,27)/b20-10+
InChIKey	OKCHUFKCEKATOC-KEBDBYFISA-N Google Search
Mol Weight	441.31 g/mol
Molecular Formula	C18H13BrN6OS
Exact Mass	440.005493 g/mol

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SpectraBase Spectrum ID	BSnSUDaIrNP
Name	4-bromo-2-((E)-{[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
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/C18H13BrN6OS/c19-13-6-7-16(26)12(8-13)10-20-25-17(23-24-18(25)27)15-9-14(21-22-15)11-4-2-1-3-5-11/h1-10,26H,(H,21,22)(H,24,27)/b20-10+
InChIKey	OKCHUFKCEKATOC-KEBDBYFISA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4126
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: E00817; Labnumber: GRES-31280; SBI_ID: SBI-004128
Synonyms	4-bromo-2-({[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Temperature	308 °C