2-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanyl-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-(4-benzoyl-2-nitro-phenyl)sulfanyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-[(4-benzoyl-2-nitrophenyl)thio]-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 2-(4-benzoyl-2-nitrophenyl)sulfanyl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-[(4-benzoyl-2-nitro-phenyl)thio]-4-hydroxy-1H-pyrimidin-6-one Formula: C17H11N3O5S MolecularWeight: 369.35134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)SC3=NC(=CC(=O)N3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)SC3=NC(=CC(=O)N3)O)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O5S/c21-14-9-15(22)19-17(18-14)26-13-7-6-11(8-12(13)20(24)25)16(23)10-4-2-1-3-5-10/h1-9H,(H2,18,19,21,22)