4-(4-bromophenyl)-5-cyano-2-methyl-6-[(2-methylphenyl)methylsulfanyl]-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 4-(4-bromophenyl)-5-cyano-2-methyl-6-[(2-methylphenyl)methylsulfanyl]-N-phenyl-pyridine-3-carboxamide Openeye Name: 4-(4-bromophenyl)-5-cyano-2-methyl-6-(o-tolylmethylsulfanyl)-N-phenyl-pyridine-3-carboxamide CAS Name: 4-(4-bromophenyl)-5-cyano-2-methyl-6-[(2-methylphenyl)methylthio]-N-phenyl-3-pyridinecarboxamide IUPAC Name: 4-(4-bromophenyl)-5-cyano-2-methyl-6-[(2-methylphenyl)methylsulfanyl]-N-phenylpyridine-3-carboxamide Traditional Name: 4-(4-bromophenyl)-5-cyano-2-methyl-6-[(2-methylbenzyl)thio]-N-phenyl-nicotinamide Formula: C28H22BrN3OS MolecularWeight: 528.46278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC(=C(C(=C2C#N)C3=CC=C(C=C3)Br)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC(=C(C(=C2C#N)C3=CC=C(C=C3)Br)C(=O)NC4=CC=CC=C4)C

InChI

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