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

Systemtic Name: 6-[5-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[5-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[5-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[5-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[5-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C2C(=O)N(C(=S)S2)CCCCCC(=O)O)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C=C2C(=O)N(C(=S)S2)CCCCCC(=O)O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3O3S2/c1-13-15(18(21)24(22-13)14-8-4-2-5-9-14)12-16-19(27)23(20(28)29-16)11-7-3-6-10-17(25)26/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,25,26)