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

Systemtic Name: 2-[(5E)-4-oxidanylidene-5-[[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: 2-[(5E)-5-[[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetate CAS Name: 2-[(5E)-4-oxo-5-[[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]acetate IUPAC Name: 2-[(5E)-5-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[(5E)-5-[[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]acetate Formula: C21H15N4O3S2- MolecularWeight: 435.4988

Click to see the large picture

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)CC(=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)CC(=O)[O-]

InChI

InChI=1S/C21H16N4O3S2/c26-18(27)13-25-20(28)17(30-21(25)29)9-16-12-24(11-14-5-2-1-3-6-14)23-19(16)15-7-4-8-22-10-15/h1-10,12H,11,13H2,(H,26,27)/p-1/b17-9+