[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-[(2,5-diphenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C25H20N4O5S MolecularWeight: 488.5151

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H20N4O5S/c1-35-22-13-12-18(14-21(22)29(32)33)25(31)34-16-24(30)26-23-15-20(17-8-4-2-5-9-17)27-28(23)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,26,30)