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

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-4-(4-methoxyphenyl)-6-(4-methylphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-4-(4-methoxyphenyl)-6-(p-tolyl)nicotinonitrile Formula: C27H20Cl2N2OS MolecularWeight: 491.4315

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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)C#N)SCC4=CC(=C(C=C4)Cl)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)Cl

InChI

InChI=1S/C27H20Cl2N2OS/c1-17-3-6-20(7-4-17)26-14-22(19-8-10-21(32-2)11-9-19)23(15-30)27(31-26)33-16-18-5-12-24(28)25(29)13-18/h3-14H,16H2,1-2H3