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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3OC)C#N)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3OC)C#N)SCC4=CC=C(C=C4)Cl

InChI

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