[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-pyridin-4-ylcarbonyl-azanium ethanoate

Systemtic Name: [(5E)-5-[(4-chlorophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-pyridin-4-ylcarbonyl-azanium ethanoate Openeye Name: [(5E)-5-[(4-chlorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-(pyridine-4-carbonyl)ammonium acetate CAS Name: [(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-[oxo(pyridin-4-yl)methyl]ammonium acetate IUPAC Name: [(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-(pyridine-4-carbonyl)azanium acetate Traditional Name: [(5E)-5-(4-chlorobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-isonicotinoyl-ammonium acetate Formula: C18H14ClN3O4S2 MolecularWeight: 435.90446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)[NH2+]C(=O)C3=CC=NC=C3)Cl

Isomeric SMILES

CC(=O)[O-].C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)[NH2+]C(=O)C3=CC=NC=C3)Cl

InChI

InChI=1S/C16H10ClN3O2S2.C2H4O2/c17-12-3-1-10(2-4-12)9-13-15(22)20(16(23)24-13)19-14(21)11-5-7-18-8-6-11;1-2(3)4/h1-9H,(H,19,21);1H3,(H,3,4)/b13-9+;