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4-(2-Ethoxyphenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile
SpectraBase Compound ID ISKOZt7xDFB
InChI InChI=1S/C22H19N3O2S/c1-2-27-19-11-7-6-10-16(19)20-17(12-23)21(26)25-22(18(20)13-24)28-14-15-8-4-3-5-9-15/h3-11,17,20H,2,14H2,1H3,(H,25,26)
InChIKey XBFVNOPMQNMMRZ-UHFFFAOYSA-N
Mol Weight 389.47 g/mol
Molecular Formula C22H19N3O2S
Exact Mass 389.119798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Juvc4k4gUYd
Name 4-(2-Ethoxyphenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile
Alternate Name(s) 4-(2-Ethoxyphenyl)-2-oxo-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile 6-(benzylthio)-2-keto-4-o-phenetyl-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile 6-Benzylsulfanyl-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile
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Formula C22H19N3O2S
InChI InChI=1S/C22H19N3O2S/c1-2-27-19-11-7-6-10-16(19)20-17(12-23)21(26)25-22(18(20)13-24)28-14-15-8-4-3-5-9-15/h3-11,17,20H,2,14H2,1H3,(H,25,26)
InChIKey XBFVNOPMQNMMRZ-UHFFFAOYSA-N
Molecular Weight 389.473 g/mol
SMILES N1C(C(C(C(=C1SCc1ccccc1)C#N)c1c(OCC)cccc1)C#N)=O
SPLASH splash10-0006-9101000000-e68afd710df9bab357d0
Wiley ID 1452982