5-(3-phenyl-1H-pyrazol-5-yl)-4-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol

SpectraBase Compound ID	DcVH86s6D7z
InChI	InChI=1S/C21H20N6O3S/c1-28-17-9-13(10-18(29-2)19(17)30-3)12-22-27-20(25-26-21(27)31)16-11-15(23-24-16)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,23,24)(H,26,31)/b22-12+
InChIKey	KMKBZBRHBSJXGR-WSDLNYQXSA-N Google Search
Mol Weight	436.49 g/mol
Molecular Formula	C21H20N6O3S
Exact Mass	436.13176 g/mol

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SpectraBase Spectrum ID	2XUfh6EUngM
Name	5-(3-phenyl-1H-pyrazol-5-yl)-4-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-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/C21H20N6O3S/c1-28-17-9-13(10-18(29-2)19(17)30-3)12-22-27-20(25-26-21(27)31)16-11-15(23-24-16)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,23,24)(H,26,31)/b22-12+
InChIKey	KMKBZBRHBSJXGR-WSDLNYQXSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_10508
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: E00544; Labnumber: GRES-12044; SBI_ID: SBI-010511
Synonyms	5-(3-phenyl-1H-pyrazol-5-yl)-4-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide5-(3-phenyl-1H-pyrazol-5-yl)-4-{[(3,4,5-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Temperature	318 °C