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

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 2-[(4-tert-butylphenyl)methylthio]-4-(4-chlorophenyl)-6-(4-methylphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-tert-butylbenzyl)thio]-4-(4-chlorophenyl)-6-(p-tolyl)nicotinonitrile Formula: C30H27ClN2S MolecularWeight: 483.06678

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

Isomeric SMILES

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

InChI

InChI=1S/C30H27ClN2S/c1-20-5-9-23(10-6-20)28-17-26(22-11-15-25(31)16-12-22)27(18-32)29(33-28)34-19-21-7-13-24(14-8-21)30(2,3)4/h5-17H,19H2,1-4H3