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

Systemtic Name: 6-[(5E)-4-oxidanylidene-5-[[1-(phenylmethyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: 6-[(5E)-5-[(1-benzylpyrazol-4-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoate CAS Name: 6-[(5E)-4-oxo-5-[[1-(phenylmethyl)-4-pyrazolyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]hexanoate IUPAC Name: 6-[(5E)-5-[(1-benzylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 6-[(5E)-5-[(1-benzylpyrazol-4-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]hexanoate Formula: C20H20N3O3S2- MolecularWeight: 414.5211

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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)CCCCCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S2/c24-18(25)9-5-2-6-10-23-19(26)17(28-20(23)27)11-16-12-21-22(14-16)13-15-7-3-1-4-8-15/h1,3-4,7-8,11-12,14H,2,5-6,9-10,13H2,(H,24,25)/p-1/b17-11+