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

SpectraBase Compound ID	KLjPTjCHm3I
InChI	InChI=1S/C16H12BrClN4OS/c1-23-14-6-5-10(7-13(14)17)9-19-22-15(20-21-16(22)24)11-3-2-4-12(18)8-11/h2-9H,1H3,(H,21,24)/b19-9+
InChIKey	ZKXUELBSNFBGMG-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	IZlRcz2erEe
Name	4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C16H12BrClN4OS/c1-23-14-6-5-10(7-13(14)17)9-19-22-15(20-21-16(22)24)11-3-2-4-12(18)8-11/h2-9H,1H3,(H,21,24)/b19-9+
InChIKey	ZKXUELBSNFBGMG-DJKKODMXSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16819
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: D25031; Labnumber: GRES-03055; SBI_ID: SBI-016822
Synonyms	4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Temperature	315 °C