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2-keto-6-methyl-5-(phenylthio)-4-(4-pyridyl)-1H-pyridine-3-carbonitrile
SpectraBase Compound ID Ix59BuQHzdk
InChI InChI=1S/C18H13N3OS/c1-12-17(23-14-5-3-2-4-6-14)16(13-7-9-20-10-8-13)15(11-19)18(22)21-12/h2-10H,1H3,(H,21,22)
InChIKey KRCYPNVKSHMHPJ-UHFFFAOYSA-N
Mol Weight 319.38 g/mol
Molecular Formula C18H13N3OS
Exact Mass 319.077933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUzanbMZAOY
Name 2-keto-6-methyl-5-(phenylthio)-4-(4-pyridyl)-1H-pyridine-3-carbonitrile
Alternate Name(s) 6-Methyl-2-oxidanylidene-5-phenylsulfanyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile 6-Methyl-2-oxo-5-(phenylthio)-4-pyridin-4-yl-1H-pyridine-3-carbonitrile 6-Methyl-2-oxo-5-phenylsulfanyl-4-(4-pyridyl)-1H-pyridine-3-carbonitrile 6-Methyl-2-oxo-5-phenylsulfanyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile
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Formula C18H13N3OS
InChI InChI=1S/C18H13N3OS/c1-12-17(23-14-5-3-2-4-6-14)16(13-7-9-20-10-8-13)15(11-19)18(22)21-12/h2-10H,1H3,(H,21,22)
InChIKey KRCYPNVKSHMHPJ-UHFFFAOYSA-N
Molecular Weight 319.382 g/mol
SMILES Oc1c(c(c(Sc2ccccc2)c(n1)C)-c1ccncc1)C#N
SPLASH splash10-014i-4019000000-2c49d22adf27a4283e4d
Source of Spectrum AH-130-553-10
Wiley ID 770632