4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol

SpectraBase Compound ID	Q4hAiPnenQ
InChI	InChI=1S/C16H12BrClN4OS/c1-23-14-6-5-12(17)7-11(14)9-19-22-15(20-21-16(22)24)10-3-2-4-13(18)8-10/h2-9H,1H3,(H,21,24)/b19-9+
InChIKey	BUAONYVFOFZBSZ-DJKKODMXSA-N Google Search
Mol Weight	423.72 g/mol
Molecular Formula	C16H12BrClN4OS
Exact Mass	421.960373 g/mol

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SpectraBase Spectrum ID	J3xEYbBhJKc
Name	4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
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/C16H12BrClN4OS/c1-23-14-6-5-12(17)7-11(14)9-19-22-15(20-21-16(22)24)10-3-2-4-13(18)8-10/h2-9H,1H3,(H,21,24)/b19-9+
InChIKey	BUAONYVFOFZBSZ-DJKKODMXSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16791
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: D24970; Labnumber: GRES-02989; SBI_ID: SBI-016794
Synonyms	4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Temperature	315 °C