4-[(5Z)-5-[(1-methylpyrazol-4-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

Systemtic Name: 4-[(5Z)-5-[(1-methylpyrazol-4-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 4-[(5Z)-5-[(1-methylpyrazol-4-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5Z)-5-[(1-methyl-4-pyrazolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 4-[(5Z)-5-[(1-methylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5Z)-4-keto-5-[(1-methylpyrazol-4-yl)methylene]-2-thioxo-thiazolidin-3-yl]butyrate Formula: C12H12N3O3S2- MolecularWeight: 310.37198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=C2C(=O)N(C(=S)S2)CCCC(=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)[O-]

InChI

InChI=1S/C12H13N3O3S2/c1-14-7-8(6-13-14)5-9-11(18)15(12(19)20-9)4-2-3-10(16)17/h5-7H,2-4H2,1H3,(H,16,17)/p-1/b9-5-