(5Z)-5-[(5-nitrofuran-2-yl)methylidene]-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-5-[(5-nitrofuran-2-yl)methylidene]-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-1-allyl-5-[(5-nitro-2-furyl)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-5-[(5-nitro-2-furanyl)methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-5-[(5-nitrofuran-2-yl)methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-1-allyl-6-keto-5-[(5-nitro-2-furyl)methylene]-2-thioxo-pyrimidin-4-olate Formula: C12H8N3O5S- MolecularWeight: 306.27402

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC=C(O2)[N+](=O)[O-])C(=NC1=S)[O-]

Isomeric SMILES

C=CCN1C(=O)/C(=C\C2=CC=C(O2)[N+](=O)[O-])/C(=NC1=S)[O-]

InChI

InChI=1S/C12H9N3O5S/c1-2-5-14-11(17)8(10(16)13-12(14)21)6-7-3-4-9(20-7)15(18)19/h2-4,6H,1,5H2,(H,13,16,21)/p-1/b8-6-