6-[(5Z)-4-oxidanylidene-5-[(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Systemtic Name: 6-[(5Z)-4-oxidanylidene-5-[(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[(5Z)-4-oxo-5-[[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[(5Z)-4-oxo-5-[(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[(5Z)-4-oxo-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[(5Z)-4-keto-5-[[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C24H22N4O3S2 MolecularWeight: 478.58648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)C=C4C(=O)N(C(=S)S4)CCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)/C=C\4/C(=O)N(C(=S)S4)CCCCCC(=O)O

InChI

InChI=1S/C24H22N4O3S2/c29-21(30)9-5-2-6-14-27-23(31)20(33-24(27)32)15-18-16-28(19-7-3-1-4-8-19)26-22(18)17-10-12-25-13-11-17/h1,3-4,7-8,10-13,15-16H,2,5-6,9,14H2,(H,29,30)/b20-15-