4-(4-chlorophenyl)-2-hexadecylsulfanyl-6-(4-methylphenyl)pyridine-3-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-2-hexadecylsulfanyl-6-(4-methylphenyl)pyridine-3-carbonitrile Openeye Name: 4-(4-chlorophenyl)-2-hexadecylsulfanyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 4-(4-chlorophenyl)-2-(hexadecylthio)-6-(4-methylphenyl)-3-pyridinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-2-hexadecylsulfanyl-6-(4-methylphenyl)pyridine-3-carbonitrile Traditional Name: 2-(cetylthio)-4-(4-chlorophenyl)-6-(p-tolyl)nicotinonitrile Formula: C35H45ClN2S MolecularWeight: 561.2632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)C)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)C)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C35H45ClN2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-39-35-33(27-37)32(29-21-23-31(36)24-22-29)26-34(38-35)30-19-17-28(2)18-20-30/h17-24,26H,3-16,25H2,1-2H3