2-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]thio]-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]thio]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C28H22N4O3S MolecularWeight: 494.56428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C)C4=CC=CC=C4

InChI

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