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

Systemtic Name: 4-[(5E)-4-oxidanylidene-5-[[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 4-[(5E)-5-[[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5E)-4-oxo-5-[[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 4-[(5E)-5-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5E)-5-[[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]butyrate Formula: C23H19N4O3S2- MolecularWeight: 463.55196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C=C4C(=O)N(C(=S)S4)CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)/C=C/4\C(=O)N(C(=S)S4)CCCC(=O)[O-]

InChI

InChI=1S/C23H20N4O3S2/c28-20(29)9-5-11-27-22(30)19(32-23(27)31)12-18-15-26(14-16-6-2-1-3-7-16)25-21(18)17-8-4-10-24-13-17/h1-4,6-8,10,12-13,15H,5,9,11,14H2,(H,28,29)/p-1/b19-12+