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

Systemtic Name: 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)propanamide Openeye Name: 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]sulfanyl]-N-(2,6-dimethylphenyl)propanamide CAS Name: 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]thio]-N-(2,6-dimethylphenyl)propanamide IUPAC Name: 2-[6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)propanamide Traditional Name: 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]thio]-N-(2,6-dimethylphenyl)propionamide Formula: C29H24BrN3OS MolecularWeight: 542.48936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=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)C(C)SC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N

InChI

InChI=1S/C29H24BrN3OS/c1-18-8-7-9-19(2)27(18)33-28(34)20(3)35-29-25(17-31)24(21-10-5-4-6-11-21)16-26(32-29)22-12-14-23(30)15-13-22/h4-16,20H,1-3H3,(H,33,34)