2-[(2-chlorophenyl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[(2-chlorophenyl)methylthio]-4-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[(2-chlorobenzyl)thio]-4-(3,4-dimethoxyphenyl)-6-phenyl-nicotinonitrile Formula: C27H21ClN2O2S MolecularWeight: 472.98584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21ClN2O2S/c1-31-25-13-12-19(14-26(25)32-2)21-15-24(18-8-4-3-5-9-18)30-27(22(21)16-29)33-17-20-10-6-7-11-23(20)28/h3-15H,17H2,1-2H3