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

Systemtic Name: 4-(4-chlorophenyl)-6-(4-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4-(4-chlorophenyl)-6-(p-tolyl)-2-(p-tolylmethylsulfanyl)pyridine-3-carbonitrile CAS Name: 4-(4-chlorophenyl)-6-(4-methylphenyl)-2-[(4-methylphenyl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-6-(4-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 4-(4-chlorophenyl)-2-[(4-methylbenzyl)thio]-6-(p-tolyl)nicotinonitrile Formula: C27H21ClN2S MolecularWeight: 440.98704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)C)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)C)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C27H21ClN2S/c1-18-3-7-20(8-4-18)17-31-27-25(16-29)24(21-11-13-23(28)14-12-21)15-26(30-27)22-9-5-19(2)6-10-22/h3-15H,17H2,1-2H3