4-[(5E)-4-oxidanylidene-5-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

Systemtic Name: 4-[(5E)-4-oxidanylidene-5-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 4-[(5E)-4-oxo-5-[[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5E)-4-oxo-5-[[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 4-[(5E)-4-oxo-5-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5E)-4-keto-5-[[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]butyrate Formula: C22H17N4O3S2- MolecularWeight: 449.52538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C=C4C(=O)N(C(=S)S4)CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)/C=C/4\C(=O)N(C(=S)S4)CCCC(=O)[O-]

InChI

InChI=1S/C22H18N4O3S2/c27-19(28)9-5-11-25-21(29)18(31-22(25)30)12-16-14-26(17-7-2-1-3-8-17)24-20(16)15-6-4-10-23-13-15/h1-4,6-8,10,12-14H,5,9,11H2,(H,27,28)/p-1/b18-12+