4H-1,2,4-triazole-3-thiol, 5-(3,4-dimethoxyphenyl)-4-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-

SpectraBase Compound ID	FAKvicbbfzJ
InChI	InChI=1S/C19H18N6O2S/c1-26-16-8-5-14(9-17(16)27-2)18-22-23-19(28)25(18)15-6-3-13(4-7-15)10-24-12-20-11-21-24/h3-9,11-12H,10H2,1-2H3,(H,23,28)
InChIKey	XULWOPZPDXMGHA-UHFFFAOYSA-N Google Search
Mol Weight	394.45 g/mol
Molecular Formula	C19H18N6O2S
Exact Mass	394.121195 g/mol

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SpectraBase Spectrum ID	2CeAqmAXEtu
Name	4H-1,2,4-triazole-3-thiol, 5-(3,4-dimethoxyphenyl)-4-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-
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/C19H18N6O2S/c1-26-16-8-5-14(9-17(16)27-2)18-22-23-19(28)25(18)15-6-3-13(4-7-15)10-24-12-20-11-21-24/h3-9,11-12H,10H2,1-2H3,(H,23,28)
InChIKey	XULWOPZPDXMGHA-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_6968
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: NMR/18277184; Labnumber: OBK-8548