3-[5-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Systemtic Name: 3-[5-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[5-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[5-[[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[5-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[4-keto-5-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C22H16N4O5S2 MolecularWeight: 480.51624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])C=C4C(=O)N(C(=S)S4)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])C=C4C(=O)N(C(=S)S4)CCC(=O)O

InChI

InChI=1S/C22H16N4O5S2/c27-19(28)9-10-24-21(29)18(33-22(24)32)12-15-13-25(16-6-2-1-3-7-16)23-20(15)14-5-4-8-17(11-14)26(30)31/h1-8,11-13H,9-10H2,(H,27,28)