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6-(4-chlorophenyl)-2-keto-4-(1-phenyl-2-thioxo-3-pyridyl)-1H-pyridine-3-carbonitrile
SpectraBase Compound ID 2DsFf0rmWs6
InChI InChI=1S/C23H14ClN3OS/c24-16-10-8-15(9-11-16)21-13-19(20(14-25)22(28)26-21)18-7-4-12-27(23(18)29)17-5-2-1-3-6-17/h1-13H,(H,26,28)
InChIKey NPCSQILAAUDTQQ-UHFFFAOYSA-N
Mol Weight 415.9 g/mol
Molecular Formula C23H14ClN3OS
Exact Mass 415.054611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9wXHmdtnBoP
Name 6-(4-chlorophenyl)-2-keto-4-(1-phenyl-2-thioxo-3-pyridyl)-1H-pyridine-3-carbonitrile
CAS Registry Number 89818-06-4
Comments Less than 3 mono-isotopic peaks
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Formula C23H14ClN3OS
InChI InChI=1S/C23H14ClN3OS/c24-16-10-8-15(9-11-16)21-13-19(20(14-25)22(28)26-21)18-7-4-12-27(23(18)29)17-5-2-1-3-6-17/h1-13H,(H,26,28)
InChIKey NPCSQILAAUDTQQ-UHFFFAOYSA-N
Molecular Weight 415.898 g/mol
SMILES N1C(C(=C(C=C1c1ccc(cc1)Cl)C=1C(N(c2ccccc2)C=CC1)=S)C#N)=O
SPLASH splash10-02t9-0001900000-c1babeb7caf79b108105
Source of Spectrum Y-20-1654-0
Synonyms 6-(4-chlorophenyl)-2-oxidanylidene-4-(1-phenyl-2-sulfanylidene-pyridin-3-yl)-1H-pyridine-3-carbonitrile 6-(4-chlorophenyl)-2-oxo-4-(1-phenyl-2-sulfanylidene-3-pyridinyl)-1H-pyridine-3-carbonitrile 6-(4-chlorophenyl)-2-oxo-4-(1-phenyl-2-sulfanylidenepyridin-3-yl)-1H-pyridine-3-carbonitrile 6-(4-chlorophenyl)-2-oxo-4-(1-phenyl-2-thioxo-3-pyridyl)-1H-pyridine-3-carbonitrile
Wiley ID 1375988