6-[(5Z)-5-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Systemtic Name: 6-[(5Z)-5-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[(5Z)-5-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[(5Z)-5-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[(5Z)-5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[(5Z)-5-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C\3/C(=O)N(C(=S)S3)CCCCCC(=O)O

InChI

InChI=1S/C21H23N3O3S2/c1-14-17(15(2)24(22-14)16-9-5-3-6-10-16)13-18-20(27)23(21(28)29-18)12-8-4-7-11-19(25)26/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,25,26)/b18-13-