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

Systemtic Name: 2-[4,6-bis(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(4-ethanoylphenyl)propanamide Openeye Name: N-(4-acetylphenyl)-2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]propanamide CAS Name: N-(4-acetylphenyl)-2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanylpropanamide Traditional Name: N-(4-acetylphenyl)-2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridyl]thio]propionamide Formula: C29H21Cl2N3O2S MolecularWeight: 546.46694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C29H21Cl2N3O2S/c1-17(35)19-7-13-24(14-8-19)33-28(36)18(2)37-29-26(16-32)25(20-3-9-22(30)10-4-20)15-27(34-29)21-5-11-23(31)12-6-21/h3-15,18H,1-2H3,(H,33,36)