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

Systemtic Name: 2-[5-[[3-(2-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[3-(4-allyloxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[5-[[3-(2-methyl-4-prop-2-enoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[5-[[3-(2-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[5-[[3-(4-allyloxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C25H21N3O4S2 MolecularWeight: 491.58194

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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)CC(=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)CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O4S2/c1-3-11-32-19-9-10-20(16(2)12-19)23-17(14-28(26-23)18-7-5-4-6-8-18)13-21-24(31)27(15-22(29)30)25(33)34-21/h3-10,12-14H,1,11,15H2,2H3,(H,29,30)