N-(4-chloranyl-3-nitro-phenyl)-2-[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[(3-cyano-4-phenyl-6-p-phenetyl-2-pyridyl)thio]acetamide Formula: C28H21ClN4O4S MolecularWeight: 545.00874

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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)SCC(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C28H21ClN4O4S/c1-2-37-21-11-8-19(9-12-21)25-15-22(18-6-4-3-5-7-18)23(16-30)28(32-25)38-17-27(34)31-20-10-13-24(29)26(14-20)33(35)36/h3-15H,2,17H2,1H3,(H,31,34)