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

Systemtic Name: 2-[(E)-[3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-nitro-phenolate Openeye Name: 2-[(E)-[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]-4-nitro-phenolate CAS Name: 2-[(E)-[3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]-4-nitrophenolate IUPAC Name: 2-[(E)-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-nitrophenolate Traditional Name: 2-[(E)-[4-keto-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-thioxo-thiazolidin-5-ylidene]methyl]-4-nitro-phenolate Formula: C21H15N4O5S2- MolecularWeight: 467.4976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)/C(=C\C4=C(C=CC(=C4)[N+](=O)[O-])[O-])/SC3=S

InChI

InChI=1S/C21H16N4O5S2/c1-12-18(20(28)24(22(12)2)14-6-4-3-5-7-14)23-19(27)17(32-21(23)31)11-13-10-15(25(29)30)8-9-16(13)26/h3-11,26H,1-2H3/p-1/b17-11+