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

Systemtic Name: 4-[(5E)-4-oxidanylidene-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5E)-4-oxo-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5E)-4-oxo-5-[[1-phenyl-3-(4-propoxyphenyl)-4-pyrazolyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5E)-4-oxo-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5E)-4-keto-5-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C26H25N3O4S2 MolecularWeight: 507.6244

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)S3)CCCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O4S2/c1-2-15-33-21-12-10-18(11-13-21)24-19(17-29(27-24)20-7-4-3-5-8-20)16-22-25(32)28(26(34)35-22)14-6-9-23(30)31/h3-5,7-8,10-13,16-17H,2,6,9,14-15H2,1H3,(H,30,31)/b22-16+