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

Systemtic Name: 4-[(5Z)-5-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5Z)-5-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5Z)-5-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5Z)-5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5Z)-5-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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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)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3S2/c1-12-15(13(2)22(20-12)14-7-4-3-5-8-14)11-16-18(25)21(19(26)27-16)10-6-9-17(23)24/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,23,24)/b16-11-