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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-[2,6-bis(bromanyl)-4-nitro-phenyl]ethanamide Openeye Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)sulfanyl]-N-(2,6-dibromo-4-nitro-phenyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-N-(2,6-dibromo-4-nitrophenyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl-N-(2,6-dibromo-4-nitrophenyl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)thio]-N-(2,6-dibromo-4-nitro-phenyl)acetamide Formula: C21H12Br2N6O3S MolecularWeight: 588.23138

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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=C3Br)[N+](=O)[O-])Br)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3Br)[N+](=O)[O-])Br)N)C#N

InChI

InChI=1S/C21H12Br2N6O3S/c22-15-6-12(29(31)32)7-16(23)19(15)27-17(30)10-33-21-14(9-25)18(11-4-2-1-3-5-11)13(8-24)20(26)28-21/h1-7H,10H2,(H2,26,28)(H,27,30)