ethanoic acid; N-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide

Systemtic Name: ethanoic acid; N-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide Openeye Name: acetic acid; N-[(5E)-5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pyridine-4-carboxamide CAS Name: acetic acid; N-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-4-pyridinecarboxamide IUPAC Name: acetic acid; N-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide Traditional Name: acetic acid; N-[(5E)-4-keto-5-(4-nitrobenzylidene)-2-thioxo-thiazolidin-3-yl]isonicotinamide Formula: C18H14N4O6S2 MolecularWeight: 446.45696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)O.C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H10N4O4S2.C2H4O2/c21-14(11-5-7-17-8-6-11)18-19-15(22)13(26-16(19)25)9-10-1-3-12(4-2-10)20(23)24;1-2(3)4/h1-9H,(H,18,21);1H3,(H,3,4)/b13-9+;