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

Systemtic Name: [4-[[3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[[3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]phenyl] ester IUPAC Name: [4-[[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[[4-keto-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-thioxo-thiazolidin-5-ylidene]methyl]phenyl] ester Formula: C28H20N4O6S2 MolecularWeight: 572.6116

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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=C(C=C4)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-])SC3=S

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C(=CC4=CC=C(C=C4)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-])SC3=S

InChI

InChI=1S/C28H20N4O6S2/c1-17-24(26(34)31(29(17)2)20-8-4-3-5-9-20)30-25(33)23(40-28(30)39)15-18-11-13-22(14-12-18)38-27(35)19-7-6-10-21(16-19)32(36)37/h3-16H,1-2H3