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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 FTb7kXk8pAQ
Name 2-(BENZYLTHIO)-4-(4-CHLOROPHENYL)-6-(p-TOLYL)NICOTINONITRILE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 426.0954
SMILES c1nc(SCc2ccccc2)c(C#N)c(-c2ccc(Cl)cc2-c2ccc(C)cc2)c1
SPLASH splash10-0006-9100100000-a5daa458e900e98e8feb
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany