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

Systemtic Name: 4-[(5E)-4-oxidanylidene-5-[(1-phenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 4-[(5E)-4-oxo-5-[(1-phenylpyrazol-4-yl)methylene]-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5E)-4-oxo-5-[(1-phenyl-4-pyrazolyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 4-[(5E)-4-oxo-5-[(1-phenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5E)-4-keto-5-[(1-phenylpyrazol-4-yl)methylene]-2-thioxo-thiazolidin-3-yl]butyrate Formula: C17H14N3O3S2- MolecularWeight: 372.44136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S2/c21-15(22)7-4-8-19-16(23)14(25-17(19)24)9-12-10-18-20(11-12)13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8H2,(H,21,22)/p-1/b14-9+