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

Systemtic Name: (4-methylphenyl)mercury(1+); 5-methylpyrimido[4,5-b]quinoline-2-thiolate Openeye Name: 5-methylpyrimido[4,5-b]quinoline-2-thiolate; p-tolylmercury(1+) CAS Name: (4-methylphenyl)mercury(1+); 5-methyl-2-pyrimido[4,5-b]quinolinethiolate IUPAC Name: (4-methylphenyl)mercury(1+); 5-methylpyrimido[4,5-b]quinoline-2-thiolate Traditional Name: 5-methylpyrimido[4,5-b]quinoline-2-thiolate; p-tolylmercury(1+) Formula: C19H15HgN3S MolecularWeight: 517.9975

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3S.C7H7.Hg/c1-7-8-4-2-3-5-10(8)14-11-9(7)6-13-12(16)15-11;1-7-5-3-2-4-6-7;/h2-6H,1H3,(H,13,14,15,16);3-6H,1H3;/q;;+1/p-1