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

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridyl]thio]acetamide Formula: C28H21BrN4O5S MolecularWeight: 605.45914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H21BrN4O5S/c1-37-25-11-8-18(12-26(25)38-2)20-14-24(17-6-4-3-5-7-17)32-28(21(20)15-30)39-16-27(34)31-23-10-9-19(33(35)36)13-22(23)29/h3-14H,16H2,1-2H3,(H,31,34)