6-(4-methylphenyl)-2-(3-octylsulfanyl-2-oxidanyl-propyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-methylphenyl)-2-(3-octylsulfanyl-2-oxidanyl-propyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-(2-hydroxy-3-octylsulfanyl-propyl)sulfanyl-4-phenyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 2-[[2-hydroxy-3-(octylthio)propyl]thio]-6-(4-methylphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-(2-hydroxy-3-octylsulfanylpropyl)sulfanyl-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[[2-hydroxy-3-(octylthio)propyl]thio]-4-phenyl-6-(p-tolyl)nicotinonitrile Formula: C30H36N2OS2 MolecularWeight: 504.74964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCC(CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)C)C3=CC=CC=C3)C#N)O

Isomeric SMILES

CCCCCCCCSCC(CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)C)C3=CC=CC=C3)C#N)O

InChI

InChI=1S/C30H36N2OS2/c1-3-4-5-6-7-11-18-34-21-26(33)22-35-30-28(20-31)27(24-12-9-8-10-13-24)19-29(32-30)25-16-14-23(2)15-17-25/h8-10,12-17,19,26,33H,3-7,11,18,21-22H2,1-2H3