2-(4-ethanoyl-2-nitro-phenyl)sulfanyl-1H-pyrimidin-6-one

Systemtic Name: 2-(4-ethanoyl-2-nitro-phenyl)sulfanyl-1H-pyrimidin-6-one Openeye Name: 2-(4-acetyl-2-nitro-phenyl)sulfanyl-1H-pyrimidin-6-one CAS Name: 2-[(4-acetyl-2-nitrophenyl)thio]-1H-pyrimidin-6-one IUPAC Name: 2-(4-acetyl-2-nitrophenyl)sulfanyl-1H-pyrimidin-6-one Traditional Name: 2-[(4-acetyl-2-nitro-phenyl)thio]-1H-pyrimidin-6-one Formula: C12H9N3O4S MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NC=CC(=O)N2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NC=CC(=O)N2)[N+](=O)[O-]

InChI

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