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

Systemtic Name: 2-[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanyl-N-(3-nitrophenyl)propanamide Openeye Name: 2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridyl]sulfanyl]-N-(3-nitrophenyl)propanamide CAS Name: 2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]thio]-N-(3-nitrophenyl)propanamide IUPAC Name: 2-[3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(3-nitrophenyl)propanamide Traditional Name: 2-[(3-cyano-4-phenyl-6-p-phenetyl-2-pyridyl)thio]-N-(3-nitrophenyl)propionamide Formula: C29H24N4O4S MolecularWeight: 524.59026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SC(C)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SC(C)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H24N4O4S/c1-3-37-24-14-12-21(13-15-24)27-17-25(20-8-5-4-6-9-20)26(18-30)29(32-27)38-19(2)28(34)31-22-10-7-11-23(16-22)33(35)36/h4-17,19H,3H2,1-2H3,(H,31,34)