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

Systemtic Name: 2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridinyl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridyl]thio]-N-(3-nitrophenyl)acetamide Formula: C28H22N4O5S MolecularWeight: 526.56308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)OC

InChI

InChI=1S/C28H22N4O5S/c1-36-25-12-11-19(13-26(25)37-2)22-15-24(18-7-4-3-5-8-18)31-28(23(22)16-29)38-17-27(33)30-20-9-6-10-21(14-20)32(34)35/h3-15H,17H2,1-2H3,(H,30,33)