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

Systemtic Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1H-pyrimidin-6-one Openeye Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1H-pyrimidin-6-one CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)thio]-1H-pyrimidin-6-one IUPAC Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1H-pyrimidin-6-one Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]-1H-pyrimidin-6-one Formula: C11H9N3O5S2 MolecularWeight: 327.33626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N3O5S2/c1-21(18,19)7-2-3-9(8(6-7)14(16)17)20-11-12-5-4-10(15)13-11/h2-6H,1H3,(H,12,13,15)