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

SpectraBase Compound ID	3IBJxMnoIVS
InChI	InChI=1S/C17H16N4O2S/c1-12-3-7-14(8-4-12)16-18-19-17(20(16)2)24-11-13-5-9-15(10-6-13)21(22)23/h3-10H,11H2,1-2H3
InChIKey	LAZXKCZJCXXKJT-UHFFFAOYSA-N Google Search
Mol Weight	340.4 g/mol
Molecular Formula	C17H16N4O2S
Exact Mass	340.099397 g/mol

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SpectraBase Spectrum ID	4pK75UciS4K
Name	4-methyl-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/C17H16N4O2S/c1-12-3-7-14(8-4-12)16-18-19-17(20(16)2)24-11-13-5-9-15(10-6-13)21(22)23/h3-10H,11H2,1-2H3
InChIKey	LAZXKCZJCXXKJT-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4094
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: D98550; Labnumber: GRES-22657; SBI_ID: SBI-004096
Synonyms	4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl 4-nitrobenzyl sulfide
Temperature	318 °C