methyl N'-[2-(trifluoromethyloxy)phenyl]sulfonylcarbamimidothioate

Systemtic Name: methyl N'-[2-(trifluoromethyloxy)phenyl]sulfonylcarbamimidothioate Openeye Name: 2-methyl-3-[2-(trifluoromethoxy)phenyl]sulfonyl-isothiourea CAS Name: N'-[2-(trifluoromethoxy)phenyl]sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[2-(trifluoromethoxy)phenyl]sulfonylcarbamimidothioate Traditional Name: 2-methyl-3-[2-(trifluoromethoxy)phenyl]sulfonyl-isothiourea Formula: C9H9F3N2O3S2 MolecularWeight: 314.30457

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)N

Isomeric SMILES

CS/C(=N\S(=O)(=O)C1=CC=CC=C1OC(F)(F)F)/N

InChI

InChI=1S/C9H9F3N2O3S2/c1-18-8(13)14-19(15,16)7-5-3-2-4-6(7)17-9(10,11)12/h2-5H,1H3,(H2,13,14)