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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-[3,5-bis(bromanyl)pyridin-2-yl]ethanamide Openeye Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)sulfanyl]-N-(3,5-dibromo-2-pyridyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-N-(3,5-dibromo-2-pyridinyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl-N-(3,5-dibromopyridin-2-yl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)thio]-N-(3,5-dibromo-2-pyridyl)acetamide Formula: C20H12Br2N6OS MolecularWeight: 544.22188

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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=C(C=N3)Br)Br)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)NC3=C(C=C(C=N3)Br)Br)N)C#N

InChI

InChI=1S/C20H12Br2N6OS/c21-12-6-15(22)19(26-9-12)27-16(29)10-30-20-14(8-24)17(11-4-2-1-3-5-11)13(7-23)18(25)28-20/h1-6,9H,10H2,(H2,25,28)(H,26,27,29)