N-[2,3,4,5,6-pentakis(bromanyl)phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[2,3,4,5,6-pentakis(bromanyl)phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(2,3,4,5,6-pentabromophenyl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(2,3,4,5,6-pentabromophenyl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(2,3,4,5,6-pentabromophenyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(2,3,4,5,6-pentabromophenyl)-2-(2-pyrimidylthio)acetamide Formula: C12H6Br5N3OS MolecularWeight: 639.78054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC(=O)NC2=C(C(=C(C(=C2Br)Br)Br)Br)Br

Isomeric SMILES

C1=CN=C(N=C1)SCC(=O)NC2=C(C(=C(C(=C2Br)Br)Br)Br)Br

InChI

InChI=1S/C12H6Br5N3OS/c13-6-7(14)9(16)11(10(17)8(6)15)20-5(21)4-22-12-18-2-1-3-19-12/h1-3H,4H2,(H,20,21)