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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=NC(=C2C#N)SCC3=CC=CC=C3Cl)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=NC(=C2C#N)SCC3=CC=CC=C3Cl)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

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