2-[4,6-bis(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(3-ethanoylphenyl)ethanamide

Systemtic Name: 2-[4,6-bis(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanylacetamide Traditional Name: N-(3-acetylphenyl)-2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridyl]thio]acetamide Formula: C28H19Cl2N3O2S MolecularWeight: 532.44036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C28H19Cl2N3O2S/c1-17(34)20-3-2-4-23(13-20)32-27(35)16-36-28-25(15-31)24(18-5-9-21(29)10-6-18)14-26(33-28)19-7-11-22(30)12-8-19/h2-14H,16H2,1H3,(H,32,35)