6-methyl-2-(4-nitrophenyl)carbonylsulfanyl-pyrimidin-4-olate

Systemtic Name: 6-methyl-2-(4-nitrophenyl)carbonylsulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-2-(4-nitrobenzoyl)sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[(4-nitrophenyl)-oxomethyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-(4-nitrobenzoyl)sulfanylpyrimidin-4-olate Traditional Name: 6-methyl-2-[(4-nitrobenzoyl)thio]pyrimidin-4-olate Formula: C12H8N3O4S- MolecularWeight: 290.27462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H9N3O4S/c1-7-6-10(16)14-12(13-7)20-11(17)8-2-4-9(5-3-8)15(18)19/h2-6H,1H3,(H,13,14,16)/p-1