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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 2-[(4-chlorophenyl)methylthio]-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-chlorobenzyl)thio]-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)nicotinonitrile Formula: C28H23ClN2O2S MolecularWeight: 487.01242

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H23ClN2O2S/c1-18-4-8-20(9-5-18)25-15-23(21-10-13-26(32-2)27(14-21)33-3)24(16-30)28(31-25)34-17-19-6-11-22(29)12-7-19/h4-15H,17H2,1-3H3