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2-keto-6-(4-methoxyphenyl)-4-(1-phenyl-2-thioxo-3-pyridyl)-1H-pyridine-3-carbonitrile
SpectraBase Compound ID B6I6kbZlTdW
InChI InChI=1S/C24H17N3O2S/c1-29-18-11-9-16(10-12-18)22-14-20(21(15-25)23(28)26-22)19-8-5-13-27(24(19)30)17-6-3-2-4-7-17/h2-14H,1H3,(H,26,28)
InChIKey VEFKAOPONBCFTP-UHFFFAOYSA-N
Mol Weight 411.48 g/mol
Molecular Formula C24H17N3O2S
Exact Mass 411.104148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OvnQ0vU2S6
Name 2-keto-6-(4-methoxyphenyl)-4-(1-phenyl-2-thioxo-3-pyridyl)-1H-pyridine-3-carbonitrile
CAS Registry Number 89818-07-5
Comments Less than 3 mono-isotopic peaks
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Formula C24H17N3O2S
InChI InChI=1S/C24H17N3O2S/c1-29-18-11-9-16(10-12-18)22-14-20(21(15-25)23(28)26-22)19-8-5-13-27(24(19)30)17-6-3-2-4-7-17/h2-14H,1H3,(H,26,28)
InChIKey VEFKAOPONBCFTP-UHFFFAOYSA-N
Molecular Weight 411.479 g/mol
SMILES N1C(C(=C(C=C1c1ccc(cc1)OC)C=1C(N(c2ccccc2)C=CC1)=S)C#N)=O
SPLASH splash10-03di-0002900000-4cf5d1dab13dd1743ecd
Source of Spectrum Y-20-1654-0
Synonyms 6-(4-methoxyphenyl)-2-oxidanylidene-4-(1-phenyl-2-sulfanylidene-pyridin-3-yl)-1H-pyridine-3-carbonitrile 6-(4-methoxyphenyl)-2-oxo-4-(1-phenyl-2-sulfanylidene-3-pyridinyl)-1H-pyridine-3-carbonitrile 6-(4-methoxyphenyl)-2-oxo-4-(1-phenyl-2-sulfanylidenepyridin-3-yl)-1H-pyridine-3-carbonitrile 6-(4-methoxyphenyl)-2-oxo-4-(1-phenyl-2-thioxo-3-pyridyl)-1H-pyridine-3-carbonitrile
Wiley ID 1374133