2-[(4-chlorophenyl)methylsulfinylmethylsulfanyl]-6-(4-methylphenyl)-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)methylsulfinylmethylsulfanyl]-6-(4-methylphenyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methylsulfinylmethylsulfanyl]-4-phenyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 2-[(4-chlorophenyl)methylsulfinylmethylthio]-6-(4-methylphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[(4-chlorophenyl)methylsulfinylmethylsulfanyl]-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[(4-chlorobenzyl)sulfinylmethylthio]-4-phenyl-6-(p-tolyl)nicotinonitrile Formula: C27H21ClN2OS2 MolecularWeight: 489.05144

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H21ClN2OS2/c1-19-7-11-22(12-8-19)26-15-24(21-5-3-2-4-6-21)25(16-29)27(30-26)32-18-33(31)17-20-9-13-23(28)14-10-20/h2-15H,17-18H2,1H3