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6-(4-Chlorophenyl)-2-oxidanylidene-4-(1-propan-2-yl-2-sulfanylidene-pyridin-3-yl)-1H-pyridine-3-carbonitrile
SpectraBase Compound ID FwEfVyfZeND
InChI InChI=1S/C20H16ClN3OS/c1-12(2)24-9-3-4-15(20(24)26)16-10-18(23-19(25)17(16)11-22)13-5-7-14(21)8-6-13/h3-10,12H,1-2H3,(H,23,25)
InChIKey LHXQUOUCRCNTPK-UHFFFAOYSA-N
Mol Weight 381.88 g/mol
Molecular Formula C20H16ClN3OS
Exact Mass 381.070261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HR43ANhA691
Name 6-(4-Chlorophenyl)-2-oxidanylidene-4-(1-propan-2-yl-2-sulfanylidene-pyridin-3-yl)-1H-pyridine-3-carbonitrile
CAS Registry Number 89818-09-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16ClN3OS
InChI InChI=1S/C20H16ClN3OS/c1-12(2)24-9-3-4-15(20(24)26)16-10-18(23-19(25)17(16)11-22)13-5-7-14(21)8-6-13/h3-10,12H,1-2H3,(H,23,25)
InChIKey LHXQUOUCRCNTPK-UHFFFAOYSA-N
Molecular Weight 381.881 g/mol
SMILES N1C(C(=C(C=C1c1ccc(cc1)Cl)C=1C(N(C(C)C)C=CC1)=S)C#N)=O
SPLASH splash10-001i-0009000000-e9f9aa954b820dbccd37
Source of Spectrum Y-20-1654-0
Synonyms 6-(4-Chlorophenyl)-2-oxo-4-(1-propan-2-yl-2-sulfanylidene-3-pyridinyl)-1H-pyridine-3-carbonitrile 6-(4-Chlorophenyl)-2-oxo-4-(1-propan-2-yl-2-sulfanylidenepyridin-3-yl)-1H-pyridine-3-carbonitrile 6-(4-Chlorophenyl)-4-(1-isopropyl-2-thioxo-3-pyridyl)-2-keto-1H-pyridine-3-carbonitrile 6-(4-Chlorophenyl)-4-(1-isopropyl-2-thioxo-3-pyridyl)-2-oxo-1H-pyridine-3-carbonitrile
Wiley ID 1360147