4-[(5E)-4-oxidanylidene-5-[(1-phenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

Systemtic Name: 4-[(5E)-4-oxidanylidene-5-[(1-phenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 4-[(5E)-4-oxo-5-[(1-phenylpyrazol-4-yl)methylene]-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 4-[(5E)-4-oxo-5-[(1-phenyl-4-pyrazolyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 4-[(5E)-4-oxo-5-[(1-phenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 4-[(5E)-4-keto-5-[(1-phenylpyrazol-4-yl)methylene]-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C20H13N3O3S2 MolecularWeight: 407.46552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=C3C(=O)N(C(=S)S3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C/3\C(=O)N(C(=S)S3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H13N3O3S2/c24-18-17(10-13-11-21-22(12-13)15-4-2-1-3-5-15)28-20(27)23(18)16-8-6-14(7-9-16)19(25)26/h1-12H,(H,25,26)/b17-10+