6-[(5E)-4-oxidanylidene-5-[[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

Systemtic Name: 6-[(5E)-4-oxidanylidene-5-[[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: 6-[(5E)-5-[[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoate CAS Name: 6-[(5E)-4-oxo-5-[[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]hexanoate IUPAC Name: 6-[(5E)-5-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 6-[(5E)-5-[[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]hexanoate Formula: C25H23N4O3S2- MolecularWeight: 491.60512

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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)CCCCCC(=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)CCCCCC(=O)[O-]

InChI

InChI=1S/C25H24N4O3S2/c30-22(31)11-5-2-6-13-29-24(32)21(34-25(29)33)14-20-17-28(16-18-8-3-1-4-9-18)27-23(20)19-10-7-12-26-15-19/h1,3-4,7-10,12,14-15,17H,2,5-6,11,13,16H2,(H,30,31)/p-1/b21-14+