diethyl 5-[[4-(2-nitrophenyl)sulfanyl-3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl]carbamoyl]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[[4-(2-nitrophenyl)sulfanyl-3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl]carbamoyl]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[[4-(2-nitrophenyl)sulfanyl-3-oxo-2-phenyl-1H-pyrazol-5-yl]carbamoyl]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-[(2-nitrophenyl)thio]-3-oxo-2-phenyl-1H-pyrazol-5-yl]amino]-oxomethyl]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-(2-nitrophenyl)sulfanyl-3-oxo-2-phenyl-1H-pyrazol-5-yl]carbamoyl]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-keto-4-[(2-nitrophenyl)thio]-1-phenyl-3-pyrazolin-3-yl]carbamoyl]benzene-1,3-dicarboxylic acid diethyl ester Formula: C28H24N4O8S MolecularWeight: 576.57716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C(=O)N(N2)C3=CC=CC=C3)SC4=CC=CC=C4[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C(=O)N(N2)C3=CC=CC=C3)SC4=CC=CC=C4[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C28H24N4O8S/c1-3-39-27(35)18-14-17(15-19(16-18)28(36)40-4-2)25(33)29-24-23(41-22-13-9-8-12-21(22)32(37)38)26(34)31(30-24)20-10-6-5-7-11-20/h5-16,30H,3-4H2,1-2H3,(H,29,33)