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

Systemtic Name: ethyl 2-[2-(4-methylphenyl)sulfonylhydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-(p-tolylsulfonyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-[(4-methylphenyl)sulfonylhydrazo]-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methylphenyl)sulfonylhydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-(N'-tosylhydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C15H15F3N4O4S MolecularWeight: 404.36421

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C15H15F3N4O4S/c1-3-26-13(23)11-8-19-14(20-12(11)15(16,17)18)21-22-27(24,25)10-6-4-9(2)5-7-10/h4-8,22H,3H2,1-2H3,(H,19,20,21)