(5E)-3-methyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5E)-3-methyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-3-methyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-methyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-methyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-3-methyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-thiazolidin-4-one Formula: C12H8N2O5S2 MolecularWeight: 324.33232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)SC1=S

Isomeric SMILES

CN1C(=O)/C(=C\C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/SC1=S

InChI

InChI=1S/C12H8N2O5S2/c1-13-11(15)10(21-12(13)20)3-6-2-8-9(19-5-18-8)4-7(6)14(16)17/h2-4H,5H2,1H3/b10-3+