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

Systemtic Name: methyl 2-[2-(4-methylphenyl)sulfonylhydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: methyl 2-[2-(p-tolylsulfonyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-[(4-methylphenyl)sulfonylhydrazo]-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-methylphenyl)sulfonylhydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-(N'-tosylhydrazino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid methyl ester Formula: C14H13F3N4O4S MolecularWeight: 390.33763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC=C(C(=N2)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC=C(C(=N2)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C14H13F3N4O4S/c1-8-3-5-9(6-4-8)26(23,24)21-20-13-18-7-10(12(22)25-2)11(19-13)14(15,16)17/h3-7,21H,1-2H3,(H,18,19,20)