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N-[Methyl(4-methylphenyl)oxo-sulfanylidene]-5-(2-phenylethynyl)nicotinamide
SpectraBase Compound ID Fm9HozwGGVI
InChI InChI=1S/C22H18N2O2S/c1-17-8-12-21(13-9-17)27(2,26)24-22(25)20-14-19(15-23-16-20)11-10-18-6-4-3-5-7-18/h3-9,12-16H,1-2H3
InChIKey COJOXMUWAXTTQX-UHFFFAOYSA-N
Mol Weight 374.46 g/mol
Molecular Formula C22H18N2O2S
Exact Mass 374.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E6Tm9dWPBzJ
Name N-[Methyl(4-methylphenyl)oxo-sulfanylidene]-5-(2-phenylethynyl)nicotinamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18N2O2S
InChI InChI=1S/C22H18N2O2S/c1-17-8-12-21(13-9-17)27(2,26)24-22(25)20-14-19(15-23-16-20)11-10-18-6-4-3-5-7-18/h3-9,12-16H,1-2H3
InChIKey COJOXMUWAXTTQX-UHFFFAOYSA-N
Molecular Weight 374.458 g/mol
SMILES c1ccc(C#Cc2cc(C(N=S(c3ccc(C)cc3)(=O)C)=O)cnc2)cc1
SPLASH splash10-0a4i-3910000000-c3551133f73cf01686ab
Source of Spectrum AD-0-2532-0
Synonyms N-[keto-methyl-(p-tolyl)persulfuranylidene]-5-(2-phenylethynyl)nicotinamide N-[methyl-(4-methylphenyl)-oxo-$l^{6}-sulfanylidene]-5-(2-phenylethynyl)-3-pyridinecarboxamide N-[methyl-(4-methylphenyl)-oxo-$l^{6}-sulfanylidene]-5-(2-phenylethynyl)pyridine-3-carboxamide N-[methyl-oxo-(p-tolyl)-$l^{6}-sulfanylidene]-5-(2-phenylethynyl)pyridine-3-carboxamide
Wiley ID 1428147