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

Systemtic Name: 2-[4,6-bis(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridyl]thio]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C27H18Cl2N4O3S MolecularWeight: 549.42782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C#N)[N+](=O)[O-]

InChI

InChI=1S/C27H18Cl2N4O3S/c1-16-2-11-21(12-25(16)33(35)36)31-26(34)15-37-27-23(14-30)22(17-3-7-19(28)8-4-17)13-24(32-27)18-5-9-20(29)10-6-18/h2-13H,15H2,1H3,(H,31,34)