4-{[(E)-(4-bromophenyl)methylidene]amino}-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol

SpectraBase Compound ID	1cwC1nJPszO
InChI	InChI=1S/C16H13BrN4S/c1-11-3-2-4-13(9-11)15-19-20-16(22)21(15)18-10-12-5-7-14(17)8-6-12/h2-10H,1H3,(H,20,22)/b18-10+
InChIKey	XAPPHSXAHBGMSJ-VCHYOVAHSA-N Google Search
Mol Weight	373.27 g/mol
Molecular Formula	C16H13BrN4S
Exact Mass	372.004431 g/mol

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SpectraBase Spectrum ID	6bmXqLmBlk0
Name	4-{[(E)-(4-bromophenyl)methylidene]amino}-5-(3-methylphenyl)-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/C16H13BrN4S/c1-11-3-2-4-13(9-11)15-19-20-16(22)21(15)18-10-12-5-7-14(17)8-6-12/h2-10H,1H3,(H,20,22)/b18-10+
InChIKey	XAPPHSXAHBGMSJ-VCHYOVAHSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16848
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: D25085; Labnumber: GRES-03115; SBI_ID: SBI-016851
Synonyms	4-{[(E)-(4-bromophenyl)methylidene]amino}-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(4-bromophenyl)methylidene]amino}-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
Temperature	315 °C