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5-Cyano-4-ethyl-2-methyl-6-(methylsulfanyl)-N-phenylnicotinamide
SpectraBase Compound ID 3TxGtr9T9az
InChI InChI=1S/C17H17N3OS/c1-4-13-14(10-18)17(22-3)19-11(2)15(13)16(21)20-12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,20,21)
InChIKey ZOJLYBUKMAZRBO-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C17H17N3OS
Exact Mass 311.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZdDwz3rr2i
Name 5-Cyano-4-ethyl-2-methyl-6-(methylsulfanyl)-N-phenylnicotinamide
CAS Registry Number 185390-68-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N3OS
InChI InChI=1S/C17H17N3OS/c1-4-13-14(10-18)17(22-3)19-11(2)15(13)16(21)20-12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,20,21)
InChIKey ZOJLYBUKMAZRBO-UHFFFAOYSA-N
Molecular Weight 311.403 g/mol
SMILES N(C(c1c(c(C#N)c(nc1C)SC)CC)=O)c1ccccc1
SPLASH splash10-001l-9660000000-1e665f56f461f38ac03c
Source of Spectrum AD-0-2532-0
Synonyms 5-cyano-4-ethyl-2-methyl-6-(methylthio)-N-phenyl-3-pyridinecarboxamide 5-cyano-4-ethyl-2-methyl-6-(methylthio)-N-phenyl-nicotinamide 5-cyano-4-ethyl-2-methyl-6-methylsulfanyl-N-phenyl-pyridine-3-carboxamide Pyridine-3-carboxamide, 5-cyano-4-ethyl-2-methyl-6-methylthio-N-phenyl-
Wiley ID 1427774