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

Systemtic Name: 3-[4-oxidanylidene-5-[[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[4-oxo-5-[[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[4-oxo-5-[[1-phenyl-3-[4-(propylthio)phenyl]-4-pyrazolyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[4-oxo-5-[[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[4-keto-5-[[1-phenyl-3-[4-(propylthio)phenyl]pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C25H23N3O3S3 MolecularWeight: 509.66342

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3S3/c1-2-14-33-20-10-8-17(9-11-20)23-18(16-28(26-23)19-6-4-3-5-7-19)15-21-24(31)27(25(32)34-21)13-12-22(29)30/h3-11,15-16H,2,12-14H2,1H3,(H,29,30)