2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-[2,6-bis(chloranyl)phenyl]ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-[2,6-bis(chloranyl)phenyl]ethanamide Openeye Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-N-(2,6-dichlorophenyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl-N-(2,6-dichlorophenyl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)thio]-N-(2,6-dichlorophenyl)acetamide Formula: C21H13Cl2N5OS MolecularWeight: 454.33182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)NC3=C(C=CC=C3Cl)Cl)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)NC3=C(C=CC=C3Cl)Cl)N)C#N

InChI

InChI=1S/C21H13Cl2N5OS/c22-15-7-4-8-16(23)19(15)27-17(29)11-30-21-14(10-25)18(12-5-2-1-3-6-12)13(9-24)20(26)28-21/h1-8H,11H2,(H2,26,28)(H,27,29)