4,6-bis[(E)-2-(4-methylphenyl)ethenyl]-2-(phenylmethylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 4,6-bis[(E)-2-(4-methylphenyl)ethenyl]-2-(phenylmethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-4,6-bis[(E)-2-(p-tolyl)vinyl]pyridine-3-carbonitrile CAS Name: 4,6-bis[(E)-2-(4-methylphenyl)ethenyl]-2-(phenylmethylthio)-3-pyridinecarbonitrile IUPAC Name: 2-benzylsulfanyl-4,6-bis[(E)-2-(4-methylphenyl)ethenyl]pyridine-3-carbonitrile Traditional Name: 2-(benzylthio)-4,6-bis[(E)-2-(p-tolyl)vinyl]nicotinonitrile Formula: C31H26N2S MolecularWeight: 458.61654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC2=CC(=NC(=C2C#N)SCC3=CC=CC=C3)C=CC4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C2=CC(=NC(=C2C#N)SCC3=CC=CC=C3)/C=C/C4=CC=C(C=C4)C

InChI

InChI=1S/C31H26N2S/c1-23-8-12-25(13-9-23)16-18-28-20-29(19-17-26-14-10-24(2)11-15-26)33-31(30(28)21-32)34-22-27-6-4-3-5-7-27/h3-20H,22H2,1-2H3/b18-16+,19-17+