2-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanylpyrimidin-4-olate Openeye Name: 2-(4-benzoyl-2-nitro-phenyl)sulfanylpyrimidin-4-olate CAS Name: 2-[(4-benzoyl-2-nitrophenyl)thio]-4-pyrimidinolate IUPAC Name: 2-(4-benzoyl-2-nitrophenyl)sulfanylpyrimidin-4-olate Traditional Name: 2-[(4-benzoyl-2-nitro-phenyl)thio]pyrimidin-4-olate Formula: C17H10N3O4S- MolecularWeight: 352.344

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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(=N3)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H11N3O4S/c21-15-8-9-18-17(19-15)25-14-7-6-12(10-13(14)20(23)24)16(22)11-4-2-1-3-5-11/h1-10H,(H,18,19,21)/p-1