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

Systemtic Name: 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanyl-N-(4-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)propanamide CAS Name: 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]thio]-N-(4-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-[6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanyl-N-(4-methyl-3-nitrophenyl)propanamide Traditional Name: 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]thio]-N-(4-methyl-3-nitro-phenyl)propionamide Formula: C28H21BrN4O3S MolecularWeight: 573.46034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H21BrN4O3S/c1-17-8-13-22(14-26(17)33(35)36)31-27(34)18(2)37-28-24(16-30)23(19-6-4-3-5-7-19)15-25(32-28)20-9-11-21(29)12-10-20/h3-15,18H,1-2H3,(H,31,34)