6-[5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Systemtic Name: 6-[5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[5-[(1,3-diphenylpyrazol-4-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[5-[(1,3-diphenyl-4-pyrazolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[5-[(1,3-diphenylpyrazol-4-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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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)CCCCCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O3S2/c29-22(30)14-8-3-9-15-27-24(31)21(33-25(27)32)16-19-17-28(20-12-6-2-7-13-20)26-23(19)18-10-4-1-5-11-18/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2,(H,29,30)