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

Systemtic Name: 2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanyl-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]thio]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]thio]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C28H22N4O3S MolecularWeight: 494.56428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)NC4=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)NC4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C28H22N4O3S/c1-18-8-11-21(12-9-18)25-15-23(20-6-4-3-5-7-20)24(16-29)28(31-25)36-17-27(33)30-22-13-10-19(2)26(14-22)32(34)35/h3-15H,17H2,1-2H3,(H,30,33)