phenyl N,N-dimethyl-N'-(trifluoromethylsulfonyl)carbamimidothioate

Systemtic Name: phenyl N,N-dimethyl-N'-(trifluoromethylsulfonyl)carbamimidothioate Openeye Name: 1,1-dimethyl-2-phenyl-3-(trifluoromethylsulfonyl)isothiourea CAS Name: N,N-dimethyl-N'-(trifluoromethylsulfonyl)carbamimidothioic acid phenyl ester IUPAC Name: phenyl N,N-dimethyl-N'-(trifluoromethylsulfonyl)carbamimidothioate Traditional Name: 1,1-dimethyl-2-phenyl-3-triflyl-isothiourea Formula: C10H11F3N2O2S2 MolecularWeight: 312.33175

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=NS(=O)(=O)C(F)(F)F)SC1=CC=CC=C1

Isomeric SMILES

CN(C)/C(=N\S(=O)(=O)C(F)(F)F)/SC1=CC=CC=C1

InChI

InChI=1S/C10H11F3N2O2S2/c1-15(2)9(14-19(16,17)10(11,12)13)18-8-6-4-3-5-7-8/h3-7H,1-2H3/b14-9+