3-pyridinecarboxamide, 5-cyano-6-[[2-[(2,5-dimethylphenyl)amino]-2-oxoethyl]thio]-4-(4-methoxyphenyl)-2-methyl-N-phenyl-

SpectraBase Compound ID	8RI3ZoLW4yb
InChI	InChI=1S/C31H28N4O3S/c1-19-10-11-20(2)26(16-19)35-27(36)18-39-31-25(17-32)29(22-12-14-24(38-4)15-13-22)28(21(3)33-31)30(37)34-23-8-6-5-7-9-23/h5-16H,18H2,1-4H3,(H,34,37)(H,35,36)
InChIKey	MTAOSBBBFODGKF-UHFFFAOYSA-N Google Search
Mol Weight	536.65 g/mol
Molecular Formula	C31H28N4O3S
Exact Mass	536.188212 g/mol

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SpectraBase Spectrum ID	JALsgJ8LWJO
Name	3-pyridinecarboxamide, 5-cyano-6-[[2-[(2,5-dimethylphenyl)amino]-2-oxoethyl]thio]-4-(4-methoxyphenyl)-2-methyl-N-phenyl-
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/C31H28N4O3S/c1-19-10-11-20(2)26(16-19)35-27(36)18-39-31-25(17-32)29(22-12-14-24(38-4)15-13-22)28(21(3)33-31)30(37)34-23-8-6-5-7-9-23/h5-16H,18H2,1-4H3,(H,34,37)(H,35,36)
InChIKey	MTAOSBBBFODGKF-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_2202
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/11238492