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

Systemtic Name: 6-[(5E)-4-oxidanylidene-5-[(1-phenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: 6-[(5E)-4-oxo-5-[(1-phenylpyrazol-4-yl)methylene]-2-thioxo-thiazolidin-3-yl]hexanoate CAS Name: 6-[(5E)-4-oxo-5-[(1-phenyl-4-pyrazolyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]hexanoate IUPAC Name: 6-[(5E)-4-oxo-5-[(1-phenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 6-[(5E)-4-keto-5-[(1-phenylpyrazol-4-yl)methylene]-2-thioxo-thiazolidin-3-yl]hexanoate Formula: C19H18N3O3S2- MolecularWeight: 400.49452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=C3C(=O)N(C(=S)S3)CCCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C/3\C(=O)N(C(=S)S3)CCCCCC(=O)[O-]

InChI

InChI=1S/C19H19N3O3S2/c23-17(24)9-5-2-6-10-21-18(25)16(27-19(21)26)11-14-12-20-22(13-14)15-7-3-1-4-8-15/h1,3-4,7-8,11-13H,2,5-6,9-10H2,(H,23,24)/p-1/b16-11+