5-azanyl-2-[5-[2,4,6-tris(chloranyl)phenyl]-1H-pyrazol-4-yl]-4H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-[5-[2,4,6-tris(chloranyl)phenyl]-1H-pyrazol-4-yl]-4H-pyrazol-3-one Openeye Name: 5-amino-2-[5-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]-4H-pyrazol-3-one CAS Name: 5-amino-2-[5-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]-4H-pyrazol-3-one IUPAC Name: 5-amino-2-[5-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]-4H-pyrazol-3-one Traditional Name: 5-amino-2-[5-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]-2-pyrazolin-3-one Formula: C12H8Cl3N5O MolecularWeight: 344.58382

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=C(NN=C2)C3=C(C=C(C=C3Cl)Cl)Cl)N

Isomeric SMILES

C1C(=NN(C1=O)C2=C(NN=C2)C3=C(C=C(C=C3Cl)Cl)Cl)N

InChI

InChI=1S/C12H8Cl3N5O/c13-5-1-6(14)11(7(15)2-5)12-8(4-17-18-12)20-10(21)3-9(16)19-20/h1-2,4H,3H2,(H2,16,19)(H,17,18)