(5E)-5-[(5-nitro-2-oxidanidyl-phenyl)methylidene]-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-5-[(5-nitro-2-oxidanidyl-phenyl)methylidene]-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-allyl-5-[(5-nitro-2-oxido-phenyl)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[(5-nitro-2-oxidophenyl)methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[(5-nitro-2-oxidophenyl)methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-allyl-6-keto-5-(5-nitro-2-oxido-benzylidene)-2-thioxo-pyrimidin-4-olate Formula: C14H9N3O5S-2 MolecularWeight: 331.30336

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C(=NC1=S)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O5S/c1-2-5-16-13(20)10(12(19)15-14(16)23)7-8-6-9(17(21)22)3-4-11(8)18/h2-4,6-7,18H,1,5H2,(H,15,19,23)/p-2/b10-7+