6-(4-methylphenyl)-4-phenyl-2-[(phenylmethyl)sulfinylmethylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 6-(4-methylphenyl)-4-phenyl-2-[(phenylmethyl)sulfinylmethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 2-(benzylsulfinylmethylsulfanyl)-4-phenyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 6-(4-methylphenyl)-4-phenyl-2-[(phenylmethyl)sulfinylmethylthio]-3-pyridinecarbonitrile IUPAC Name: 2-(benzylsulfinylmethylsulfanyl)-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-(benzylsulfinylmethylthio)-4-phenyl-6-(p-tolyl)nicotinonitrile Formula: C27H22N2OS2 MolecularWeight: 454.60638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCS(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCS(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H22N2OS2/c1-20-12-14-23(15-13-20)26-16-24(22-10-6-3-7-11-22)25(17-28)27(29-26)31-19-32(30)18-21-8-4-2-5-9-21/h2-16H,18-19H2,1H3