(5E)-5-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-5-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[[4-(2-hydroxyethylthio)-3-nitrophenyl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-5-[4-(2-hydroxyethylthio)-3-nitro-benzylidene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C13H10N3O5S2- MolecularWeight: 352.3656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=C2C(=O)NC(=S)N=C2[O-])[N+](=O)[O-])SCCO

Isomeric SMILES

C1=CC(=C(C=C1/C=C\2/C(=O)NC(=S)N=C2[O-])[N+](=O)[O-])SCCO

InChI

InChI=1S/C13H11N3O5S2/c17-3-4-23-10-2-1-7(6-9(10)16(20)21)5-8-11(18)14-13(22)15-12(8)19/h1-2,5-6,17H,3-4H2,(H2,14,15,18,19,22)/p-1