2-[4-oxidanylidene-5-[[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid

Systemtic Name: 2-[4-oxidanylidene-5-[[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[4-oxo-5-[[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[4-oxo-5-[[1-phenyl-3-[3-(1-pyrrolidinylsulfonyl)phenyl]-4-pyrazolyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[4-oxo-5-[[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[4-keto-5-[[1-phenyl-3-(3-pyrrolidinosulfonylphenyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C25H22N4O5S3 MolecularWeight: 554.66098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C4C(=O)N(C(=S)S4)CC(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C4C(=O)N(C(=S)S4)CC(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O5S3/c30-22(31)16-28-24(32)21(36-25(28)35)14-18-15-29(19-8-2-1-3-9-19)26-23(18)17-7-6-10-20(13-17)37(33,34)27-11-4-5-12-27/h1-3,6-10,13-15H,4-5,11-12,16H2,(H,30,31)