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

Systemtic Name: 1-[3-(5-nitrothiophen-2-yl)-5-phenyl-pyrazol-1-yl]-2-phenylazanyl-ethanone Openeye Name: 2-anilino-1-[3-(5-nitro-2-thienyl)-5-phenyl-pyrazol-1-yl]ethanone CAS Name: 2-anilino-1-[3-(5-nitro-2-thiophenyl)-5-phenyl-1-pyrazolyl]ethanone IUPAC Name: 2-anilino-1-[3-(5-nitrothiophen-2-yl)-5-phenylpyrazol-1-yl]ethanone Traditional Name: 2-anilino-1-[3-(5-nitro-2-thienyl)-5-phenyl-pyrazol-1-yl]ethanone Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NN2C(=O)CNC3=CC=CC=C3)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NN2C(=O)CNC3=CC=CC=C3)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O3S/c26-20(14-22-16-9-5-2-6-10-16)24-18(15-7-3-1-4-8-15)13-17(23-24)19-11-12-21(29-19)25(27)28/h1-13,22H,14H2