11-[(5Z)-4-oxidanylidene-5-[(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Systemtic Name: 11-[(5Z)-4-oxidanylidene-5-[(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Openeye Name: 11-[(5Z)-4-oxo-5-[[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]undecanoic acid CAS Name: 11-[(5Z)-4-oxo-5-[(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]undecanoic acid IUPAC Name: 11-[(5Z)-4-oxo-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Traditional Name: 11-[(5Z)-4-keto-5-[[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]undecanoic acid Formula: C29H32N4O3S2 MolecularWeight: 548.71938

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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)CCCCCCCCCCC(=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)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C29H32N4O3S2/c34-26(35)14-10-5-3-1-2-4-6-11-19-32-28(36)25(38-29(32)37)20-23-21-33(24-12-8-7-9-13-24)31-27(23)22-15-17-30-18-16-22/h7-9,12-13,15-18,20-21H,1-6,10-11,14,19H2,(H,34,35)/b25-20-