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

Systemtic Name: ethyl 5-azanyl-1-[2-bromanyl-6-chloranyl-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-amino-1-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-pyrazole-3-carboxylate CAS Name: 5-amino-1-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfonylpyrazole-3-carboxylate Traditional Name: 5-amino-1-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-4-mesyl-pyrazole-3-carboxylic acid ethyl ester Formula: C14H12BrClF3N3O4S MolecularWeight: 490.67999

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1S(=O)(=O)C)N)C2=C(C=C(C=C2Br)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1S(=O)(=O)C)N)C2=C(C=C(C=C2Br)C(F)(F)F)Cl

InChI

InChI=1S/C14H12BrClF3N3O4S/c1-3-26-13(23)9-11(27(2,24)25)12(20)22(21-9)10-7(15)4-6(5-8(10)16)14(17,18)19/h4-5H,3,20H2,1-2H3