methyl N-(4,6-dimethoxypyrimidin-2-yl)-N'-[2-(trifluoromethyloxy)phenyl]sulfonyl-carbamimidothioate

Systemtic Name: methyl N-(4,6-dimethoxypyrimidin-2-yl)-N'-[2-(trifluoromethyloxy)phenyl]sulfonyl-carbamimidothioate Openeye Name: 1-(4,6-dimethoxypyrimidin-2-yl)-2-methyl-3-[2-(trifluoromethoxy)phenyl]sulfonyl-isothiourea CAS Name: N-(4,6-dimethoxy-2-pyrimidinyl)-N'-[2-(trifluoromethoxy)phenyl]sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4,6-dimethoxypyrimidin-2-yl)-N'-[2-(trifluoromethoxy)phenyl]sulfonylcarbamimidothioate Traditional Name: 1-(4,6-dimethoxypyrimidin-2-yl)-2-methyl-3-[2-(trifluoromethoxy)phenyl]sulfonyl-isothiourea Formula: C15H15F3N4O5S2 MolecularWeight: 452.42861

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=NS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)SC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)N/C(=N/S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)/SC)OC

InChI

InChI=1S/C15H15F3N4O5S2/c1-25-11-8-12(26-2)20-13(19-11)21-14(28-3)22-29(23,24)10-7-5-4-6-9(10)27-15(16,17)18/h4-8H,1-3H3,(H,19,20,21,22)