3-[(5Z)-5-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

Systemtic Name: 3-[(5Z)-5-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Openeye Name: 3-[(5Z)-5-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoate CAS Name: 3-[(5Z)-5-[[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoate IUPAC Name: 3-[(5Z)-5-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Traditional Name: 3-[(5Z)-5-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]propionate Formula: C22H15BrN3O3S2- MolecularWeight: 513.4068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C=C4C(=O)N(C(=S)S4)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)/C=C\4/C(=O)N(C(=S)S4)CCC(=O)[O-]

InChI

InChI=1S/C22H16BrN3O3S2/c23-16-8-6-14(7-9-16)20-15(13-26(24-20)17-4-2-1-3-5-17)12-18-21(29)25(22(30)31-18)11-10-19(27)28/h1-9,12-13H,10-11H2,(H,27,28)/p-1/b18-12-