5-(4-bromophenyl)-1-(3-fluoranyl-4-methylsulfonyl-phenyl)-4-nitro-pyrazole

Systemtic Name: 5-(4-bromophenyl)-1-(3-fluoranyl-4-methylsulfonyl-phenyl)-4-nitro-pyrazole Openeye Name: 5-(4-bromophenyl)-1-(3-fluoro-4-methylsulfonyl-phenyl)-4-nitro-pyrazole CAS Name: 5-(4-bromophenyl)-1-(3-fluoro-4-methylsulfonylphenyl)-4-nitropyrazole IUPAC Name: 5-(4-bromophenyl)-1-(3-fluoro-4-methylsulfonylphenyl)-4-nitropyrazole Traditional Name: 5-(4-bromophenyl)-1-(3-fluoro-4-mesyl-phenyl)-4-nitro-pyrazole Formula: C16H11BrFN3O4S MolecularWeight: 440.243643

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)N2C(=C(C=N2)[N+](=O)[O-])C3=CC=C(C=C3)Br)F

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)N2C(=C(C=N2)[N+](=O)[O-])C3=CC=C(C=C3)Br)F

InChI

InChI=1S/C16H11BrFN3O4S/c1-26(24,25)15-7-6-12(8-13(15)18)20-16(14(9-19-20)21(22)23)10-2-4-11(17)5-3-10/h2-9H,1H3