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

Systemtic Name: 4-(4-tert-butylphenyl)-2-[(2-chlorophenyl)methylsulfanyl]-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-(4-tert-butylphenyl)-2-[(2-chlorophenyl)methylsulfanyl]-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(4-tert-butylphenyl)-2-[(2-chlorophenyl)methylthio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-(4-tert-butylphenyl)-2-[(2-chlorophenyl)methylsulfanyl]-6-phenylpyridine-3-carbonitrile Traditional Name: 4-(4-tert-butylphenyl)-2-[(2-chlorobenzyl)thio]-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)C2=CC(=NC(=C2C#N)SCC3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

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