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

Systemtic Name: 5-[(5E)-4-oxidanylidene-5-[(1-phenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoate Openeye Name: 5-[(5E)-4-oxo-5-[(1-phenylpyrazol-4-yl)methylene]-2-thioxo-thiazolidin-3-yl]pentanoate CAS Name: 5-[(5E)-4-oxo-5-[(1-phenyl-4-pyrazolyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]pentanoate IUPAC Name: 5-[(5E)-4-oxo-5-[(1-phenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoate Traditional Name: 5-[(5E)-4-keto-5-[(1-phenylpyrazol-4-yl)methylene]-2-thioxo-thiazolidin-3-yl]valerate Formula: C18H16N3O3S2- MolecularWeight: 386.46794

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)CCCCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S2/c22-16(23)8-4-5-9-20-17(24)15(26-18(20)25)10-13-11-19-21(12-13)14-6-2-1-3-7-14/h1-3,6-7,10-12H,4-5,8-9H2,(H,22,23)/p-1/b15-10+