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

Systemtic Name: 2-[4-(2-chlorophenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanyl-N-(4-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-[[4-(2-chlorophenyl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)propanamide CAS Name: 2-[[4-(2-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]thio]-N-(4-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-[4-(2-chlorophenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl-N-(4-methyl-3-nitrophenyl)propanamide Traditional Name: 2-[[4-(2-chlorophenyl)-3-cyano-6-phenyl-2-pyridyl]thio]-N-(4-methyl-3-nitro-phenyl)propionamide Formula: C28H21ClN4O3S MolecularWeight: 529.00934

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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=CC=C3)C4=CC=CC=C4Cl)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4Cl)C#N)[N+](=O)[O-]

InChI

InChI=1S/C28H21ClN4O3S/c1-17-12-13-20(14-26(17)33(35)36)31-27(34)18(2)37-28-23(16-30)22(21-10-6-7-11-24(21)29)15-25(32-28)19-8-4-3-5-9-19/h3-15,18H,1-2H3,(H,31,34)