2-[[4-[2-oxidanylidene-2-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[2-oxidanylidene-2-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[4-[[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]thio]anilino]methyl]benzoic acid IUPAC Name: 2-[[4-[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-keto-2-[(5-keto-1-phenyl-2-pyrazolin-3-yl)amino]ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C25H20N4O5S MolecularWeight: 488.5151

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CSC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CSC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C25H20N4O5S/c30-22(27-21-14-23(31)29(28-21)17-6-2-1-3-7-17)15-35-18-12-10-16(11-13-18)26-24(32)19-8-4-5-9-20(19)25(33)34/h1-13H,14-15H2,(H,26,32)(H,33,34)(H,27,28,30)