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

SpectraBase Compound ID	E0TSuLxZ1d0
InChI	InChI=1S/C13H8BrClN4S2/c14-11-5-4-10(21-11)7-16-19-12(17-18-13(19)20)8-2-1-3-9(15)6-8/h1-7H,(H,18,20)/b16-7+
InChIKey	DDIHLPYISFYKNE-FRKPEAEDSA-N Google Search
Mol Weight	399.71 g/mol
Molecular Formula	C13H8BrClN4S2
Exact Mass	397.906229 g/mol

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SpectraBase Spectrum ID	HhcpavvwGCB
Name	4-{[(E)-(5-bromo-2-thienyl)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/C13H8BrClN4S2/c14-11-5-4-10(21-11)7-16-19-12(17-18-13(19)20)8-2-1-3-9(15)6-8/h1-7H,(H,18,20)/b16-7+
InChIKey	DDIHLPYISFYKNE-FRKPEAEDSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16824
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: D25038; Labnumber: GRES-03062; SBI_ID: SBI-016827
Synonyms	4-{[(E)-(5-bromo-2-thienyl)methylidene]amino}-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(5-bromo-2-thienyl)methylidene]amino}-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Temperature	315 °C