2-[(5E)-4-oxidanylidene-5-[[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate

Systemtic Name: 2-[(5E)-4-oxidanylidene-5-[[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: 2-[(5E)-5-[[3-(3-benzyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetate CAS Name: 2-[(5E)-4-oxo-5-[[1-phenyl-3-(3-phenylmethoxyphenyl)-4-pyrazolyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]acetate IUPAC Name: 2-[(5E)-4-oxo-5-[[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[(5E)-5-[[3-(3-benzoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]acetate Formula: C28H20N3O4S2- MolecularWeight: 526.6061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=NN(C=C3C=C4C(=O)N(C(=S)S4)CC(=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=NN(C=C3/C=C/4\C(=O)N(C(=S)S4)CC(=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H21N3O4S2/c32-25(33)17-30-27(34)24(37-28(30)36)15-21-16-31(22-11-5-2-6-12-22)29-26(21)20-10-7-13-23(14-20)35-18-19-8-3-1-4-9-19/h1-16H,17-18H2,(H,32,33)/p-1/b24-15+