2-[(4-chlorophenyl)amino]-1-[3-(5-nitrothiophen-2-yl)-5-oxidanyl-5-phenyl-4H-pyrazol-1-yl]ethanone

Systemtic Name: 2-[(4-chlorophenyl)amino]-1-[3-(5-nitrothiophen-2-yl)-5-oxidanyl-5-phenyl-4H-pyrazol-1-yl]ethanone Openeye Name: 2-(4-chloroanilino)-1-[5-hydroxy-3-(5-nitro-2-thienyl)-5-phenyl-4H-pyrazol-1-yl]ethanone CAS Name: 2-(4-chloroanilino)-1-[5-hydroxy-3-(5-nitro-2-thiophenyl)-5-phenyl-4H-pyrazol-1-yl]ethanone IUPAC Name: 2-(4-chloroanilino)-1-[5-hydroxy-3-(5-nitrothiophen-2-yl)-5-phenyl-4H-pyrazol-1-yl]ethanone Traditional Name: 2-(4-chloroanilino)-1-[5-hydroxy-3-(5-nitro-2-thienyl)-5-phenyl-2-pyrazolin-1-yl]ethanone Formula: C21H17ClN4O4S MolecularWeight: 456.90208

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C2=CC=CC=C2)O)C(=O)CNC3=CC=C(C=C3)Cl)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1C(=NN(C1(C2=CC=CC=C2)O)C(=O)CNC3=CC=C(C=C3)Cl)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C21H17ClN4O4S/c22-15-6-8-16(9-7-15)23-13-19(27)25-21(28,14-4-2-1-3-5-14)12-17(24-25)18-10-11-20(31-18)26(29)30/h1-11,23,28H,12-13H2