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

Systemtic Name: 2-[4,6-bis(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridyl]thio]-N-(4-nitrophenyl)acetamide Formula: C26H16Cl2N4O3S MolecularWeight: 535.40124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C26H16Cl2N4O3S/c27-18-5-1-16(2-6-18)22-13-24(17-3-7-19(28)8-4-17)31-26(23(22)14-29)36-15-25(33)30-20-9-11-21(12-10-20)32(34)35/h1-13H,15H2,(H,30,33)