4-(4-methoxyphenyl)-3-(4-methylphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole

SpectraBase Compound ID	AKIS8LPvEXu
InChI	InChI=1S/C23H20N4O3S/c1-16-3-7-18(8-4-16)22-24-25-23(26(22)19-11-13-21(30-2)14-12-19)31-15-17-5-9-20(10-6-17)27(28)29/h3-14H,15H2,1-2H3
InChIKey	JELUGDKNMWECQI-UHFFFAOYSA-N Google Search
Mol Weight	432.5 g/mol
Molecular Formula	C23H20N4O3S
Exact Mass	432.125612 g/mol

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SpectraBase Spectrum ID	CXCBhbjQULz
Name	4-(4-methoxyphenyl)-3-(4-methylphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
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/C23H20N4O3S/c1-16-3-7-18(8-4-16)22-24-25-23(26(22)19-11-13-21(30-2)14-12-19)31-15-17-5-9-20(10-6-17)27(28)29/h3-14H,15H2,1-2H3
InChIKey	JELUGDKNMWECQI-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14547
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: D98674; Labnumber: GRES-24731; SBI_ID: SBI-014550
Synonyms	methyl 4-{3-(4-methylphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}phenyl ether
Temperature	308 °C