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

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4,6-bis(4-chlorophenyl)pyridine-3-carbonitrile Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4,6-bis(4-chlorophenyl)pyridine-3-carbonitrile CAS Name: 2-[(4-tert-butylphenyl)methylthio]-4,6-bis(4-chlorophenyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4,6-bis(4-chlorophenyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-tert-butylbenzyl)thio]-4,6-bis(4-chlorophenyl)nicotinonitrile Formula: C29H24Cl2N2S MolecularWeight: 503.48526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24Cl2N2S/c1-29(2,3)22-10-4-19(5-11-22)18-34-28-26(17-32)25(20-6-12-23(30)13-7-20)16-27(33-28)21-8-14-24(31)15-9-21/h4-16H,18H2,1-3H3