2-[(4-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 2-[(4-chlorophenyl)methylthio]-4-(4-methoxyphenyl)-6-(4-methylphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-chlorobenzyl)thio]-4-(4-methoxyphenyl)-6-(p-tolyl)nicotinonitrile Formula: C27H21ClN2OS MolecularWeight: 456.98644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)OC)C#N)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)OC)C#N)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H21ClN2OS/c1-18-3-7-21(8-4-18)26-15-24(20-9-13-23(31-2)14-10-20)25(16-29)27(30-26)32-17-19-5-11-22(28)12-6-19/h3-15H,17H2,1-2H3