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

Systemtic Name: 2-[(5E)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[(5E)-5-[(1,3-diphenylpyrazol-4-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[(5E)-5-[(1,3-diphenyl-4-pyrazolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[(5E)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[(5E)-5-[(1,3-diphenylpyrazol-4-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C21H15N3O3S2 MolecularWeight: 421.4921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)S3)CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H15N3O3S2/c25-18(26)13-23-20(27)17(29-21(23)28)11-15-12-24(16-9-5-2-6-10-16)22-19(15)14-7-3-1-4-8-14/h1-12H,13H2,(H,25,26)/b17-11+