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

Systemtic Name: 6-(4-methylphenyl)-2-octylsulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-octylsulfanyl-4-phenyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 6-(4-methylphenyl)-2-(octylthio)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-methylphenyl)-2-octylsulfanyl-4-phenylpyridine-3-carbonitrile Traditional Name: 2-(octylthio)-4-phenyl-6-(p-tolyl)nicotinonitrile Formula: C27H30N2S MolecularWeight: 414.6055

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)C)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCCCCCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)C)C3=CC=CC=C3)C#N

InChI

InChI=1S/C27H30N2S/c1-3-4-5-6-7-11-18-30-27-25(20-28)24(22-12-9-8-10-13-22)19-26(29-27)23-16-14-21(2)15-17-23/h8-10,12-17,19H,3-7,11,18H2,1-2H3