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

Systemtic Name: 2-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanyl-1H-pyrimidin-6-one Openeye Name: 2-(4-benzoyl-2-nitro-phenyl)sulfanyl-1H-pyrimidin-6-one CAS Name: 2-[(4-benzoyl-2-nitrophenyl)thio]-1H-pyrimidin-6-one IUPAC Name: 2-(4-benzoyl-2-nitrophenyl)sulfanyl-1H-pyrimidin-6-one Traditional Name: 2-[(4-benzoyl-2-nitro-phenyl)thio]-1H-pyrimidin-6-one Formula: C17H11N3O4S MolecularWeight: 353.35194

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

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)SC3=NC=CC(=O)N3)[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)