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

Systemtic Name: 2-[(5Z)-5-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: 2-[(5Z)-5-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetate CAS Name: 2-[(5Z)-5-[[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetate IUPAC Name: 2-[(5Z)-5-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[(5Z)-5-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]acetate Formula: C21H13BrN3O3S2- MolecularWeight: 499.38022

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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)CC(=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)CC(=O)[O-]

InChI

InChI=1S/C21H14BrN3O3S2/c22-15-8-6-13(7-9-15)19-14(11-25(23-19)16-4-2-1-3-5-16)10-17-20(28)24(12-18(26)27)21(29)30-17/h1-11H,12H2,(H,26,27)/p-1/b17-10-