5-azanyl-1-[2-bromanyl-6-chloranyl-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-azanyl-1-[2-bromanyl-6-chloranyl-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-pyrazole-3-carboxylic acid Openeye Name: 5-amino-1-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-pyrazole-3-carboxylic acid CAS Name: 5-amino-1-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-3-pyrazolecarboxylic acid IUPAC Name: 5-amino-1-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfonylpyrazole-3-carboxylic acid Traditional Name: 5-amino-1-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-4-mesyl-pyrazole-3-carboxylic acid Formula: C12H8BrClF3N3O4S MolecularWeight: 462.62683

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(N(N=C1C(=O)O)C2=C(C=C(C=C2Br)C(F)(F)F)Cl)N

Isomeric SMILES

CS(=O)(=O)C1=C(N(N=C1C(=O)O)C2=C(C=C(C=C2Br)C(F)(F)F)Cl)N

InChI

InChI=1S/C12H8BrClF3N3O4S/c1-25(23,24)9-7(11(21)22)19-20(10(9)18)8-5(13)2-4(3-6(8)14)12(15,16)17/h2-3H,18H2,1H3,(H,21,22)