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2-Oxidanylidene-6-phenyl-4-(1-propan-2-yl-2-sulfanylidene-pyridin-3-yl)-1H-pyridine-3-carbonitrile
SpectraBase Compound ID HuPLMirZ2dR
InChI InChI=1S/C20H17N3OS/c1-13(2)23-10-6-9-15(20(23)25)16-11-18(14-7-4-3-5-8-14)22-19(24)17(16)12-21/h3-11,13H,1-2H3,(H,22,24)
InChIKey REFBRPCQBYAKIC-UHFFFAOYSA-N
Mol Weight 347.44 g/mol
Molecular Formula C20H17N3OS
Exact Mass 347.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YjTs75KPQQ
Name 2-Oxidanylidene-6-phenyl-4-(1-propan-2-yl-2-sulfanylidene-pyridin-3-yl)-1H-pyridine-3-carbonitrile
CAS Registry Number 89818-08-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17N3OS
InChI InChI=1S/C20H17N3OS/c1-13(2)23-10-6-9-15(20(23)25)16-11-18(14-7-4-3-5-8-14)22-19(24)17(16)12-21/h3-11,13H,1-2H3,(H,22,24)
InChIKey REFBRPCQBYAKIC-UHFFFAOYSA-N
Molecular Weight 347.436 g/mol
SMILES N1C(C(=C(C=C1c1ccccc1)C=1C(N(C(C)C)C=CC1)=S)C#N)=O
SPLASH splash10-0002-0009000000-639fc27c6ee25e8d42c3
Source of Spectrum Y-20-1654-0
Synonyms 2-Oxo-6-phenyl-4-(1-propan-2-yl-2-sulfanylidene-3-pyridinyl)-1H-pyridine-3-carbonitrile 2-Oxo-6-phenyl-4-(1-propan-2-yl-2-sulfanylidenepyridin-3-yl)-1H-pyridine-3-carbonitrile 4-(1-isopropyl-2-thioxo-3-pyridyl)-2-keto-6-phenyl-1H-pyridine-3-carbonitrile 4-(1-isopropyl-2-thioxo-3-pyridyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
Wiley ID 1340056