6-(4-methylphenyl)-2-(phenylmethylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-methylphenyl)-2-(phenylmethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 6-(4-methylphenyl)-2-(phenylmethylthio)-3-pyridinecarbonitrile IUPAC Name: 2-benzylsulfanyl-6-(4-methylphenyl)pyridine-3-carbonitrile Traditional Name: 2-(benzylthio)-6-(p-tolyl)nicotinonitrile Formula: C20H16N2S MolecularWeight: 316.41944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2S/c1-15-7-9-17(10-8-15)19-12-11-18(13-21)20(22-19)23-14-16-5-3-2-4-6-16/h2-12H,14H2,1H3