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

Systemtic Name: 2-[(5E)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid; ethanoic acid Openeye Name: acetic acid; 2-[(5E)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid CAS Name: acetic acid; 2-[(5E)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid IUPAC Name: acetic acid; 2-[(5E)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Traditional Name: acetic acid; 2-[(5E)-5-[[3-[4-(2-chlorobenzyl)oxyphenyl]-1-phenyl-pyrazol-4-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid Formula: C30H26ClN3O7S3 MolecularWeight: 672.19134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4Cl)C=C5C(=O)N(C(=S)S5)CCS(=O)(=O)O

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4Cl)/C=C/5\C(=O)N(C(=S)S5)CCS(=O)(=O)O

InChI

InChI=1S/C28H22ClN3O5S3.C2H4O2/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36;1-2(3)4/h1-13,16-17H,14-15,18H2,(H,34,35,36);1H3,(H,3,4)/b25-16+;