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

Systemtic Name: 2-[(5Z)-4-oxidanylidene-5-[(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Openeye Name: 2-[(5Z)-4-oxo-5-[[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid CAS Name: 2-[(5Z)-4-oxo-5-[(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid IUPAC Name: 2-[(5Z)-4-oxo-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Traditional Name: 2-[(5Z)-4-keto-5-[[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid Formula: C20H16N4O4S3 MolecularWeight: 472.56044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O4S3/c25-19-17(30-20(29)23(19)10-11-31(26,27)28)12-15-13-24(16-4-2-1-3-5-16)22-18(15)14-6-8-21-9-7-14/h1-9,12-13H,10-11H2,(H,26,27,28)/b17-12-