2-[(5E)-5-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid

Systemtic Name: 2-[(5E)-5-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Openeye Name: 2-[(5E)-5-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid CAS Name: 2-[(5E)-5-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid IUPAC Name: 2-[(5E)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Traditional Name: 2-[(5E)-5-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid Formula: C21H16ClN3O4S3 MolecularWeight: 506.01744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C=C4C(=O)N(C(=S)S4)CCS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3O4S3/c22-16-8-6-14(7-9-16)19-15(13-25(23-19)17-4-2-1-3-5-17)12-18-20(26)24(21(30)31-18)10-11-32(27,28)29/h1-9,12-13H,10-11H2,(H,27,28,29)/b18-12+