3-[(5Z)-5-[(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic 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]propanoic acid Openeye Name: 3-[(5Z)-5-[(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[(5Z)-5-[(1-butyl-5-chloro-3-methyl-4-pyrazolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[(5Z)-5-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[(5Z)-5-[(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C15H18ClN3O3S2 MolecularWeight: 387.90472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O3S2/c1-3-4-6-19-13(16)10(9(2)17-19)8-11-14(22)18(15(23)24-11)7-5-12(20)21/h8H,3-7H2,1-2H3,(H,20,21)/b11-8-