3-[(5E)-4-oxidanylidene-5-[[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate

Systemtic Name: 3-[(5E)-4-oxidanylidene-5-[[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Openeye Name: 3-[(5E)-5-[[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoate CAS Name: 3-[(5E)-4-oxo-5-[[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]benzoate IUPAC Name: 3-[(5E)-5-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Traditional Name: 3-[(5E)-5-[[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]benzoate Formula: C26H17N4O3S2- MolecularWeight: 497.56818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C=C4C(=O)N(C(=S)S4)C5=CC=CC(=C5)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)/C=C/4\C(=O)N(C(=S)S4)C5=CC=CC(=C5)C(=O)[O-]

InChI

InChI=1S/C26H18N4O3S2/c31-24-22(35-26(34)30(24)21-10-4-8-18(12-21)25(32)33)13-20-16-29(15-17-6-2-1-3-7-17)28-23(20)19-9-5-11-27-14-19/h1-14,16H,15H2,(H,32,33)/p-1/b22-13+