4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol

SpectraBase Compound ID	GZ0uqvcTQV7
InChI	InChI=1S/C17H14ClN5O3S/c1-2-26-13-6-4-12(5-7-13)16-20-21-17(27)22(16)19-10-11-3-8-14(18)15(9-11)23(24)25/h3-10H,2H2,1H3,(H,21,27)/b19-10+
InChIKey	ROZJSFYIZTWXDD-VXLYETTFSA-N Google Search
Mol Weight	403.84 g/mol
Molecular Formula	C17H14ClN5O3S
Exact Mass	403.050588 g/mol

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SpectraBase Spectrum ID	EO7CgZ7ekln
Name	4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(4-ethoxyphenyl)-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/C17H14ClN5O3S/c1-2-26-13-6-4-12(5-7-13)16-20-21-17(27)22(16)19-10-11-3-8-14(18)15(9-11)23(24)25/h3-10H,2H2,1H3,(H,21,27)/b19-10+
InChIKey	ROZJSFYIZTWXDD-VXLYETTFSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16496
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: D25438; Labnumber: GRES-03682; SBI_ID: SBI-016499
Synonyms	4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(4-chloro-3-nitrophenyl)methylidene]amino}-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Temperature	318 °C