2-[[3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate

Systemtic Name: 2-[[3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate Openeye Name: 2-[[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]benzoate CAS Name: 2-[[3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]benzoate IUPAC Name: 2-[[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate Traditional Name: 2-[[4-keto-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-thioxo-thiazolidin-5-ylidene]methyl]benzoate Formula: C22H16N3O4S2- MolecularWeight: 450.51014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C(=CC4=CC=CC=C4C(=O)[O-])SC3=S

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C(=CC4=CC=CC=C4C(=O)[O-])SC3=S

InChI

InChI=1S/C22H17N3O4S2/c1-13-18(20(27)25(23(13)2)15-9-4-3-5-10-15)24-19(26)17(31-22(24)30)12-14-8-6-7-11-16(14)21(28)29/h3-12H,1-2H3,(H,28,29)/p-1