6-(4-methylphenyl)-2-(octylsulfanylmethylsulfanyl)-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-methylphenyl)-2-(octylsulfanylmethylsulfanyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-(octylsulfanylmethylsulfanyl)-4-phenyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 6-(4-methylphenyl)-2-[(octylthio)methylthio]-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-methylphenyl)-2-(octylsulfanylmethylsulfanyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[(octylthio)methylthio]-4-phenyl-6-(p-tolyl)nicotinonitrile Formula: C28H32N2S2 MolecularWeight: 460.69708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)C)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCCCCCSCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)C)C3=CC=CC=C3)C#N

InChI

InChI=1S/C28H32N2S2/c1-3-4-5-6-7-11-18-31-21-32-28-26(20-29)25(23-12-9-8-10-13-23)19-27(30-28)24-16-14-22(2)15-17-24/h8-10,12-17,19H,3-7,11,18,21H2,1-2H3