2-[(4-chlorophenyl)methylsulfanyl]-4-(3-methoxy-4-phenylmethoxy-phenyl)-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(3-methoxy-4-phenylmethoxy-phenyl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-(4-benzyloxy-3-methoxy-phenyl)-2-[(4-chlorophenyl)methylsulfanyl]-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[(4-chlorophenyl)methylthio]-4-(3-methoxy-4-phenylmethoxyphenyl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(3-methoxy-4-phenylmethoxyphenyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 4-(4-benzoxy-3-methoxy-phenyl)-2-[(4-chlorobenzyl)thio]-6-phenyl-nicotinonitrile Formula: C33H25ClN2O2S MolecularWeight: 549.0818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=NC(=C2C#N)SCC3=CC=C(C=C3)Cl)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=NC(=C2C#N)SCC3=CC=C(C=C3)Cl)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C33H25ClN2O2S/c1-37-32-18-26(14-17-31(32)38-21-23-8-4-2-5-9-23)28-19-30(25-10-6-3-7-11-25)36-33(29(28)20-35)39-22-24-12-15-27(34)16-13-24/h2-19H,21-22H2,1H3