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

SpectraBase Compound ID	AJgU4Vn2n7R
InChI	InChI=1S/C14H11BrN4OS2/c1-20-10-4-2-3-9(7-10)13-17-18-14(21)19(13)16-8-11-5-6-12(15)22-11/h2-8H,1H3,(H,18,21)/b16-8+
InChIKey	QUJWECLFFPMCDE-LZYBPNLTSA-N Google Search
Mol Weight	395.29 g/mol
Molecular Formula	C14H11BrN4OS2
Exact Mass	393.955766 g/mol

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SpectraBase Spectrum ID	950XuAsrIh2
Name	4-{[(E)-(5-bromo-2-thienyl)methylidene]amino}-5-(3-methoxyphenyl)-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/C14H11BrN4OS2/c1-20-10-4-2-3-9(7-10)13-17-18-14(21)19(13)16-8-11-5-6-12(15)22-11/h2-8H,1H3,(H,18,21)/b16-8+
InChIKey	QUJWECLFFPMCDE-LZYBPNLTSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16931
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: D25280; Labnumber: GRES-03335; SBI_ID: SBI-016934
Synonyms	4-{[(E)-(5-bromo-2-thienyl)methylidene]amino}-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(5-bromo-2-thienyl)methylidene]amino}-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Temperature	315 °C