2-[(5Z)-4-oxidanylidene-5-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate

Systemtic Name: 2-[(5Z)-4-oxidanylidene-5-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Openeye Name: 2-[(5Z)-4-oxo-5-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]ethanesulfonate CAS Name: 2-[(5Z)-4-oxo-5-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]ethanesulfonate IUPAC Name: 2-[(5Z)-4-oxo-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Traditional Name: 2-[(5Z)-4-keto-5-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]ethanesulfonate Formula: C19H14N3O4S4- MolecularWeight: 476.59216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=C4C(=O)N(C(=S)S4)CCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=C\4/C(=O)N(C(=S)S4)CCS(=O)(=O)[O-]

InChI

InChI=1S/C19H15N3O4S4/c23-18-16(29-19(27)21(18)8-10-30(24,25)26)11-13-12-22(14-5-2-1-3-6-14)20-17(13)15-7-4-9-28-15/h1-7,9,11-12H,8,10H2,(H,24,25,26)/p-1/b16-11-