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3-Pyridinecarbonitrile, 2-[[2-[[(4-chlorophenyl)methyl]thio]ethyl]thio]-4-(4-methylphenyl)-6-phenyl-

View entire compound with spectra: 2 NMR

3-Pyridinecarbonitrile, 2-[[2-[[(4-chlorophenyl)methyl]thio]ethyl]thio]-4-(4-methylphenyl)-6-phenyl-
SpectraBase Compound ID DtSuliInx3h
InChI InChI=1S/C28H23ClN2S2/c1-20-7-11-22(12-8-20)25-17-27(23-5-3-2-4-6-23)31-28(26(25)18-30)33-16-15-32-19-21-9-13-24(29)14-10-21/h2-14,17H,15-16,19H2,1H3
InChIKey DIRFZUIZYRSUNW-UHFFFAOYSA-N
Mol Weight 487.08 g/mol
Molecular Formula C28H23ClN2S2
Exact Mass 486.099119 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6OuiZY1JabT
Name 3-Pyridinecarbonitrile, 2-[[2-[[(4-chlorophenyl)methyl]thio]ethyl]thio]-4-(4-methylphenyl)-6-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.099118797 u
Formula C28H23ClN2S2
InChI InChI=1S/C28H23ClN2S2/c1-20-7-11-22(12-8-20)25-17-27(23-5-3-2-4-6-23)31-28(26(25)18-30)33-16-15-32-19-21-9-13-24(29)14-10-21/h2-14,17H,15-16,19H2,1H3
InChIKey DIRFZUIZYRSUNW-UHFFFAOYSA-N
Molecular Weight 487.079 g/mol
SMILES C1(=C(N=C(C=C1C1=CC=C(C=C1)C)C=1C=CC=CC1)SCCSCC=1C=CC(=CC1)Cl)C#N