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

Systemtic Name: 3-[5-[[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[5-[[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[5-[[3-[4-(ethylthio)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[5-[[3-(4-ethylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[5-[[3-[4-(ethylthio)phenyl]-1-phenyl-pyrazol-4-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C24H21N3O3S3 MolecularWeight: 495.63684

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3O3S3/c1-2-32-19-10-8-16(9-11-19)22-17(15-27(25-22)18-6-4-3-5-7-18)14-20-23(30)26(24(31)33-20)13-12-21(28)29/h3-11,14-15H,2,12-13H2,1H3,(H,28,29)