5-{[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

SpectraBase Compound ID	Ie7mAhdSUKo
InChI	InChI=1S/C24H21N5OS/c1-16-20(13-25)23(30)26-17(2)21(16)15-31-24-28-27-22(19-11-7-4-8-12-19)29(24)14-18-9-5-3-6-10-18/h3-12H,14-15H2,1-2H3,(H,26,30)
InChIKey	FRGUEUUPSPZTPD-UHFFFAOYSA-N Google Search
Mol Weight	427.53 g/mol
Molecular Formula	C24H21N5OS
Exact Mass	427.146681 g/mol

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SpectraBase Spectrum ID	4Nncf3TNfME
Name	5-{[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
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/C24H21N5OS/c1-16-20(13-25)23(30)26-17(2)21(16)15-31-24-28-27-22(19-11-7-4-8-12-19)29(24)14-18-9-5-3-6-10-18/h3-12H,14-15H2,1-2H3,(H,26,30)
InChIKey	FRGUEUUPSPZTPD-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_6576
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: NMR/11261432; Labnumber: LP-2111077; IOH_ID: IOH-006577