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

Systemtic Name: 3-[(5E)-4-oxidanylidene-5-[(1-phenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[(5E)-4-oxo-5-[(1-phenylpyrazol-4-yl)methylene]-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[(5E)-4-oxo-5-[(1-phenyl-4-pyrazolyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[(5E)-4-oxo-5-[(1-phenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[(5E)-4-keto-5-[(1-phenylpyrazol-4-yl)methylene]-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O3S2/c20-14(21)6-7-18-15(22)13(24-16(18)23)8-11-9-17-19(10-11)12-4-2-1-3-5-12/h1-5,8-10H,6-7H2,(H,20,21)/b13-8+