2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]thio]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]thio]-N-(2,6-dimethylphenyl)acetamide Formula: C28H22BrN3OS MolecularWeight: 528.46278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N

InChI

InChI=1S/C28H22BrN3OS/c1-18-7-6-8-19(2)27(18)32-26(33)17-34-28-24(16-30)23(20-9-4-3-5-10-20)15-25(31-28)21-11-13-22(29)14-12-21/h3-15H,17H2,1-2H3,(H,32,33)