N-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

Systemtic Name: N-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide Openeye Name: N-[(5E)-5-[(3-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanamide CAS Name: N-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanamide IUPAC Name: N-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide Traditional Name: N-[(5E)-4-keto-5-(3-nitrobenzylidene)-2-thioxo-thiazolidin-3-yl]propionamide Formula: C13H11N3O4S2 MolecularWeight: 337.37414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NN1C(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])SC1=S

Isomeric SMILES

CCC(=O)NN1C(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/SC1=S

InChI

InChI=1S/C13H11N3O4S2/c1-2-11(17)14-15-12(18)10(22-13(15)21)7-8-4-3-5-9(6-8)16(19)20/h3-7H,2H2,1H3,(H,14,17)/b10-7+