(4-bromophenyl)mercury(1+); 5-methylpyrimido[4,5-b]quinoline-2-thiolate

Systemtic Name: (4-bromophenyl)mercury(1+); 5-methylpyrimido[4,5-b]quinoline-2-thiolate Openeye Name: (4-bromophenyl)mercury(1+); 5-methylpyrimido[4,5-b]quinoline-2-thiolate CAS Name: (4-bromophenyl)mercury(1+); 5-methyl-2-pyrimido[4,5-b]quinolinethiolate IUPAC Name: (4-bromophenyl)mercury(1+); 5-methylpyrimido[4,5-b]quinoline-2-thiolate Traditional Name: (4-bromophenyl)mercury(1+); 5-methylpyrimido[4,5-b]quinoline-2-thiolate Formula: C18H12BrHgN3S MolecularWeight: 582.86698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=NC(=NC2=NC3=CC=CC=C13)[S-].C1=CC(=CC=C1Br)[Hg+]

Isomeric SMILES

CC1=C2C=NC(=NC2=NC3=CC=CC=C13)[S-].C1=CC(=CC=C1Br)[Hg+]

InChI

InChI=1S/C12H9N3S.C6H4Br.Hg/c1-7-8-4-2-3-5-10(8)14-11-9(7)6-13-12(16)15-11;7-6-4-2-1-3-5-6;/h2-6H,1H3,(H,13,14,15,16);2-5H;/q;;+1/p-1