ethyl 2-[2-(4-bromophenyl)sulfonylhydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[2-(4-bromophenyl)sulfonylhydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-(4-bromophenyl)sulfonylhydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-[(4-bromophenyl)sulfonylhydrazo]-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-bromophenyl)sulfonylhydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-(N'-brosylhydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C14H12BrF3N4O4S MolecularWeight: 469.23369

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C(F)(F)F)NNS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C(F)(F)F)NNS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H12BrF3N4O4S/c1-2-26-12(23)10-7-19-13(20-11(10)14(16,17)18)21-22-27(24,25)9-5-3-8(15)4-6-9/h3-7,22H,2H2,1H3,(H,19,20,21)