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

Systemtic Name: 4-(4-bromophenyl)-5-cyano-2-methyl-6-methylsulfanyl-N-phenyl-pyridine-3-carboxamide Openeye Name: 4-(4-bromophenyl)-5-cyano-2-methyl-6-methylsulfanyl-N-phenyl-pyridine-3-carboxamide CAS Name: 4-(4-bromophenyl)-5-cyano-2-methyl-6-(methylthio)-N-phenyl-3-pyridinecarboxamide IUPAC Name: 4-(4-bromophenyl)-5-cyano-2-methyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide Traditional Name: 4-(4-bromophenyl)-5-cyano-2-methyl-6-(methylthio)-N-phenyl-nicotinamide Formula: C21H16BrN3OS MolecularWeight: 438.34024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)SC)C#N)C2=CC=C(C=C2)Br)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(C(=N1)SC)C#N)C2=CC=C(C=C2)Br)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H16BrN3OS/c1-13-18(20(26)25-16-6-4-3-5-7-16)19(14-8-10-15(22)11-9-14)17(12-23)21(24-13)27-2/h3-11H,1-2H3,(H,25,26)