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

Systemtic Name: 2-[4,6-bis(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(5-chloranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]-N-(5-chloro-2-methyl-phenyl)acetamide CAS Name: 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-N-(5-chloro-2-methylphenyl)acetamide IUPAC Name: 2-[4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl-N-(5-chloro-2-methylphenyl)acetamide Traditional Name: 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridyl]thio]-N-(5-chloro-2-methyl-phenyl)acetamide Formula: C27H18Cl3N3OS MolecularWeight: 538.87532

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H18Cl3N3OS/c1-16-2-7-21(30)12-24(16)32-26(34)15-35-27-23(14-31)22(17-3-8-19(28)9-4-17)13-25(33-27)18-5-10-20(29)11-6-18/h2-13H,15H2,1H3,(H,32,34)