2-[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridinyl]thio]-N-phenylacetamide IUPAC Name: 2-[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridyl]thio]-N-phenyl-acetamide Formula: C28H23N3O3S MolecularWeight: 481.56552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H23N3O3S/c1-33-25-15-9-14-21(27(25)34-2)22-16-24(19-10-5-3-6-11-19)31-28(23(22)17-29)35-18-26(32)30-20-12-7-4-8-13-20/h3-16H,18H2,1-2H3,(H,30,32)