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

Systemtic Name: 4-[(5Z)-5-[(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5Z)-5-[(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5Z)-5-[(1-butyl-5-chloro-3-methyl-4-pyrazolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5Z)-5-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5Z)-5-[(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C16H20ClN3O3S2 MolecularWeight: 401.9313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O3S2/c1-3-4-8-20-14(17)11(10(2)18-20)9-12-15(23)19(16(24)25-12)7-5-6-13(21)22/h9H,3-8H2,1-2H3,(H,21,22)/b12-9-