2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-6-one Openeye Name: 2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-6-one CAS Name: 2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1H-pyrimidin-6-one IUPAC Name: 2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one Traditional Name: 2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-1H-pyrimidin-6-one Formula: C12H9N3O4S MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NC=CC(=O)N2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NC=CC(=O)N2

InChI

InChI=1S/C12H9N3O4S/c16-10(7-20-12-13-5-4-11(17)14-12)8-2-1-3-9(6-8)15(18)19/h1-6H,7H2,(H,13,14,17)