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

SpectraBase Compound ID	KsSscjmgJVz
InChI	InChI=1S/C21H24N4OS/c1-5-26-18-12-8-16(9-13-18)19-23-24-20(27)25(19)22-14-15-6-10-17(11-7-15)21(2,3)4/h6-14H,5H2,1-4H3,(H,24,27)/b22-14+
InChIKey	PCEGBOJMGIVXDS-HYARGMPZSA-N Google Search
Mol Weight	380.51 g/mol
Molecular Formula	C21H24N4OS
Exact Mass	380.167083 g/mol

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SpectraBase Spectrum ID	5i5CHemDr8X
Name	4-{[(E)-(4-tert-butylphenyl)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/C21H24N4OS/c1-5-26-18-12-8-16(9-13-18)19-23-24-20(27)25(19)22-14-15-6-10-17(11-7-15)21(2,3)4/h6-14H,5H2,1-4H3,(H,24,27)/b22-14+
InChIKey	PCEGBOJMGIVXDS-HYARGMPZSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16487
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: D25401; Labnumber: GRES-03638; SBI_ID: SBI-016490
Synonyms	4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(4-tert-butylphenyl)methylidene]amino}-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Temperature	318 °C