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

Systemtic Name: 2-[(5Z)-4-oxidanylidene-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Openeye Name: 2-[(5Z)-4-oxo-5-[(5-phenyl-1H-pyrazol-4-yl)methylene]-2-thioxo-thiazolidin-3-yl]butanedioic acid CAS Name: 2-[(5Z)-4-oxo-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-3-thiazolidinyl]butanedioic acid IUPAC Name: 2-[(5Z)-4-oxo-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Traditional Name: 2-[(5Z)-4-keto-5-[(5-phenyl-1H-pyrazol-4-yl)methylene]-2-thioxo-thiazolidin-3-yl]succinic acid Formula: C17H13N3O5S2 MolecularWeight: 403.43222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=NN2)C=C3C(=O)N(C(=S)S3)C(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=NN2)/C=C\3/C(=O)N(C(=S)S3)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C17H13N3O5S2/c21-13(22)7-11(16(24)25)20-15(23)12(27-17(20)26)6-10-8-18-19-14(10)9-4-2-1-3-5-9/h1-6,8,11H,7H2,(H,18,19)(H,21,22)(H,24,25)/b12-6-