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

Systemtic Name: 1-[3-(5-nitrothiophen-2-yl)-5-oxidanyl-5-phenyl-4H-pyrazol-1-yl]-2-phenylazanyl-ethanone Openeye Name: 2-anilino-1-[5-hydroxy-3-(5-nitro-2-thienyl)-5-phenyl-4H-pyrazol-1-yl]ethanone CAS Name: 2-anilino-1-[5-hydroxy-3-(5-nitro-2-thiophenyl)-5-phenyl-4H-pyrazol-1-yl]ethanone IUPAC Name: 2-anilino-1-[5-hydroxy-3-(5-nitrothiophen-2-yl)-5-phenyl-4H-pyrazol-1-yl]ethanone Traditional Name: 2-anilino-1-[5-hydroxy-3-(5-nitro-2-thienyl)-5-phenyl-2-pyrazolin-1-yl]ethanone Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O4S/c26-19(14-22-16-9-5-2-6-10-16)24-21(27,15-7-3-1-4-8-15)13-17(23-24)18-11-12-20(30-18)25(28)29/h1-12,22,27H,13-14H2