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

Systemtic Name: 2-[5-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[4-oxo-5-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[5-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[5-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[4-keto-5-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O3S2/c1-14-7-9-15(10-8-14)20-16(12-25(23-20)17-5-3-2-4-6-17)11-18-21(28)24(13-19(26)27)22(29)30-18/h2-12H,13H2,1H3,(H,26,27)