3-[(5Z)-5-[(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

Systemtic Name: 3-[(5Z)-5-[(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 3-[(5Z)-5-[(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 3-[(5Z)-5-[(1-butyl-5-chloro-3-methyl-4-pyrazolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 3-[(5Z)-5-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[(5Z)-5-[(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C19H18ClN3O3S2 MolecularWeight: 435.94752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=C2C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C\2/C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C19H18ClN3O3S2/c1-3-4-8-22-16(20)14(11(2)21-22)10-15-17(24)23(19(27)28-15)13-7-5-6-12(9-13)18(25)26/h5-7,9-10H,3-4,8H2,1-2H3,(H,25,26)/b15-10-