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

SpectraBase Compound ID	DhvRYfBJL2l
InChI	InChI=1S/C23H20N4O4S/c1-30-20-12-10-18(11-13-20)26-22(17-4-3-5-21(14-17)31-2)24-25-23(26)32-15-16-6-8-19(9-7-16)27(28)29/h3-14H,15H2,1-2H3
InChIKey	HCLVLKJGAKAEBF-UHFFFAOYSA-N Google Search
Mol Weight	448.5 g/mol
Molecular Formula	C23H20N4O4S
Exact Mass	448.120526 g/mol

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SpectraBase Spectrum ID	CUWbtbwTpDW
Name	3-(3-methoxyphenyl)-4-(4-methoxyphenyl)-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/C23H20N4O4S/c1-30-20-12-10-18(11-13-20)26-22(17-4-3-5-21(14-17)31-2)24-25-23(26)32-15-16-6-8-19(9-7-16)27(28)29/h3-14H,15H2,1-2H3
InChIKey	HCLVLKJGAKAEBF-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11504
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: E06416; Labnumber: GRES-22241; SBI_ID: SBI-011507
Temperature	308 °C