2-[4,6-bis(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide

Systemtic Name: 2-[4,6-bis(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 2-[4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridyl]thio]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C28H20Cl2N4O3S MolecularWeight: 563.4544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H20Cl2N4O3S/c1-16-3-12-22(34(36)37)13-25(16)32-27(35)17(2)38-28-24(15-31)23(18-4-8-20(29)9-5-18)14-26(33-28)19-6-10-21(30)11-7-19/h3-14,17H,1-2H3,(H,32,35)