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2-(Benzylthio)-4-(4-chlorophenyl)-6-(p-tolyl)nicotinonitrile
SpectraBase Compound ID gSCO1eDALa
InChI InChI=1S/C26H19ClN2S/c1-18-7-9-20(10-8-18)24-15-21(27)11-12-22(24)23-13-14-29-26(25(23)16-28)30-17-19-5-3-2-4-6-19/h2-15H,17H2,1H3
InChIKey PPCZCHIQDODIHZ-UHFFFAOYSA-N
Mol Weight 426.97 g/mol
Molecular Formula C26H19ClN2S
Exact Mass 426.095747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EexEXxJJDy
Name 2-(Benzylthio)-4-(4-chlorophenyl)-6-(p-tolyl)nicotinonitrile
Alternate Name(s) 2-(Benzylsulfanyl)-4-(4-chlorophenyl)-6-(4-methylphenyl)nicotinonitrile 2-(benzylsulfanyl)-4-(5-chloro-4'-methyl[1,1'-biphenyl]-2-yl)nicotinonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H19ClN2S
InChI InChI=1S/C26H19ClN2S/c1-18-7-9-20(10-8-18)24-15-21(27)11-12-22(24)23-13-14-29-26(25(23)16-28)30-17-19-5-3-2-4-6-19/h2-15H,17H2,1H3
InChIKey PPCZCHIQDODIHZ-UHFFFAOYSA-N
Molecular Weight 426.965 g/mol
SMILES c1cc(c(c(n1)SCc1ccccc1)C#N)-c1c(cc(cc1)Cl)-c1ccc(cc1)C
SPLASH splash10-0006-9100100000-d4d16341fb598b37d99e
Wiley ID 1467675