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

Systemtic Name: 2-[3-cyano-6-(4-fluorophenyl)-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(4-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-[[3-cyano-6-(4-fluorophenyl)-4-(p-tolyl)-2-pyridyl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)propanamide CAS Name: 2-[[3-cyano-6-(4-fluorophenyl)-4-(4-methylphenyl)-2-pyridinyl]thio]-N-(4-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-[3-cyano-6-(4-fluorophenyl)-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(4-methyl-3-nitrophenyl)propanamide Traditional Name: 2-[[3-cyano-6-(4-fluorophenyl)-4-(p-tolyl)-2-pyridyl]thio]-N-(4-methyl-3-nitro-phenyl)propionamide Formula: C29H23FN4O3S MolecularWeight: 526.581323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H23FN4O3S/c1-17-4-7-20(8-5-17)24-15-26(21-9-11-22(30)12-10-21)33-29(25(24)16-31)38-19(3)28(35)32-23-13-6-18(2)27(14-23)34(36)37/h4-15,19H,1-3H3,(H,32,35)