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

Systemtic Name: 2-[3-cyano-6-(4-methoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridyl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridyl]thio]-N-(3-nitrophenyl)acetamide Formula: C27H20N4O4S MolecularWeight: 496.5371

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H20N4O4S/c1-35-22-12-10-19(11-13-22)25-15-23(18-6-3-2-4-7-18)24(16-28)27(30-25)36-17-26(32)29-20-8-5-9-21(14-20)31(33)34/h2-15H,17H2,1H3,(H,29,32)