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

Systemtic Name: 1-[5-(4-chlorophenyl)-3-(5-nitrothiophen-2-yl)-5-oxidanyl-4H-pyrazol-1-yl]-2-phenylazanyl-ethanone Openeye Name: 2-anilino-1-[5-(4-chlorophenyl)-5-hydroxy-3-(5-nitro-2-thienyl)-4H-pyrazol-1-yl]ethanone CAS Name: 2-anilino-1-[5-(4-chlorophenyl)-5-hydroxy-3-(5-nitro-2-thiophenyl)-4H-pyrazol-1-yl]ethanone IUPAC Name: 2-anilino-1-[5-(4-chlorophenyl)-5-hydroxy-3-(5-nitrothiophen-2-yl)-4H-pyrazol-1-yl]ethanone Traditional Name: 2-anilino-1-[5-(4-chlorophenyl)-5-hydroxy-3-(5-nitro-2-thienyl)-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=C(C=C2)Cl)O)C(=O)CNC3=CC=CC=C3)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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