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

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[(4-tert-butylphenyl)methylthio]-4-(4-chlorophenyl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-chlorophenyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[(4-tert-butylbenzyl)thio]-4-(4-chlorophenyl)-6-phenyl-nicotinonitrile Formula: C29H25ClN2S MolecularWeight: 469.0402

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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=CC=C3)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=CC=C3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C29H25ClN2S/c1-29(2,3)23-13-9-20(10-14-23)19-33-28-26(18-31)25(21-11-15-24(30)16-12-21)17-27(32-28)22-7-5-4-6-8-22/h4-17H,19H2,1-3H3