N-{[4-allyl-5-(benzylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylaniline

SpectraBase Compound ID	6nbXWZ24UXF
InChI	InChI=1S/C20H22N4S/c1-3-13-24-19(14-21-18-11-9-16(2)10-12-18)22-23-20(24)25-15-17-7-5-4-6-8-17/h3-12,21H,1,13-15H2,2H3
InChIKey	QJKAELZPVFNYCX-UHFFFAOYSA-N Google Search
Mol Weight	350.48 g/mol
Molecular Formula	C20H22N4S
Exact Mass	350.156518 g/mol

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SpectraBase Spectrum ID	8dC5hssyW2k
Name	N-{[4-allyl-5-(benzylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylaniline
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/C20H22N4S/c1-3-13-24-19(14-21-18-11-9-16(2)10-12-18)22-23-20(24)25-15-17-7-5-4-6-8-17/h3-12,21H,1,13-15H2,2H3
InChIKey	QJKAELZPVFNYCX-UHFFFAOYSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_17375
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: UZI/9052622; UBI_ID: UBI-017378
Synonyms	N-{[4-allyl-5-(benzylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-N-(4-methylphenyl)amine
Temperature	313 °C