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

Systemtic Name: 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanyl-N-(3-chlorophenyl)propanamide Openeye Name: 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]sulfanyl]-N-(3-chlorophenyl)propanamide CAS Name: 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]thio]-N-(3-chlorophenyl)propanamide IUPAC Name: 2-[6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanyl-N-(3-chlorophenyl)propanamide Traditional Name: 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]thio]-N-(3-chlorophenyl)propionamide Formula: C27H19BrClN3OS MolecularWeight: 548.88126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H19BrClN3OS/c1-17(26(33)31-22-9-5-8-21(29)14-22)34-27-24(16-30)23(18-6-3-2-4-7-18)15-25(32-27)19-10-12-20(28)13-11-19/h2-15,17H,1H3,(H,31,33)