4-[(5E)-5-[[3-(3-bromanyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Systemtic Name: 4-[(5E)-5-[[3-(3-bromanyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5E)-5-[[3-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5E)-5-[[3-(3-bromo-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5E)-5-[[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5E)-5-[[3-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C24H20BrN3O4S2 MolecularWeight: 558.4673

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCC(=O)O)C4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)S3)CCCC(=O)O)C4=CC=CC=C4)Br

InChI

InChI=1S/C24H20BrN3O4S2/c1-32-19-10-9-15(12-18(19)25)22-16(14-28(26-22)17-6-3-2-4-7-17)13-20-23(31)27(24(33)34-20)11-5-8-21(29)30/h2-4,6-7,9-10,12-14H,5,8,11H2,1H3,(H,29,30)/b20-13+