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

Systemtic Name: 4-[(5E)-4-oxidanylidene-5-[[1-(phenylmethyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 4-[(5E)-5-[(1-benzylpyrazol-4-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5E)-4-oxo-5-[[1-(phenylmethyl)-4-pyrazolyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 4-[(5E)-5-[(1-benzylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5E)-5-[(1-benzylpyrazol-4-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]butyrate Formula: C18H16N3O3S2- MolecularWeight: 386.46794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=C3C(=O)N(C(=S)S3)CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/3\C(=O)N(C(=S)S3)CCCC(=O)[O-]

InChI

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