3-[5-[[3-(2-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Systemtic Name: 3-[5-[[3-(2-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[5-[[3-(4-allyloxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[5-[[3-(2-methyl-4-prop-2-enoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[5-[[3-(2-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[5-[[3-(4-allyloxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C26H23N3O4S2 MolecularWeight: 505.60852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC=C)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)OCC=C)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O4S2/c1-3-13-33-20-9-10-21(17(2)14-20)24-18(16-29(27-24)19-7-5-4-6-8-19)15-22-25(32)28(26(34)35-22)12-11-23(30)31/h3-10,14-16H,1,11-13H2,2H3,(H,30,31)