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2-[(3-Methylbenzyl)sulfanyl]-4-phenyl-6-(2-thienyl)nicotinonitrile

View entire compound with spectra: 2 NMR

2-[(3-Methylbenzyl)sulfanyl]-4-phenyl-6-(2-thienyl)nicotinonitrile
SpectraBase Compound ID 6sDNdSUNTut
InChI InChI=1S/C24H18N2S2/c1-17-7-5-8-18(13-17)16-28-24-21(15-25)20(19-9-3-2-4-10-19)14-22(26-24)23-11-6-12-27-23/h2-14H,16H2,1H3
InChIKey VSDHXZJSXTVCFN-UHFFFAOYSA-N
Mol Weight 398.54 g/mol
Molecular Formula C24H18N2S2
Exact Mass 398.091141 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 21TDTw2nwSG
Name 2-[(3-Methylbenzyl)sulfanyl]-4-phenyl-6-(2-thienyl)nicotinonitrile
Comments Computed using HOSE algorithm
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Exact Mass 398.091140936 u
Formula C24H18N2S2
InChI InChI=1S/C24H18N2S2/c1-17-7-5-8-18(13-17)16-28-24-21(15-25)20(19-9-3-2-4-10-19)14-22(26-24)23-11-6-12-27-23/h2-14H,16H2,1H3
InChIKey VSDHXZJSXTVCFN-UHFFFAOYSA-N
Molecular Weight 398.542 g/mol
SMILES C=1(C(=NC(=CC1C1=CC=CC=C1)C=1SC=CC1)SCC=1C=C(C)C=CC1)C#N