ethyl N'-[3-(trifluoromethyl)phenyl]carbamimidothioate

Systemtic Name: ethyl N'-[3-(trifluoromethyl)phenyl]carbamimidothioate Openeye Name: 2-ethyl-3-[3-(trifluoromethyl)phenyl]isothiourea CAS Name: N'-[3-(trifluoromethyl)phenyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[3-(trifluoromethyl)phenyl]carbamimidothioate Traditional Name: 2-ethyl-3-[3-(trifluoromethyl)phenyl]isothiourea Formula: C10H11F3N2S MolecularWeight: 248.26795

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC=CC(=C1)C(F)(F)F)N

Isomeric SMILES

CCSC(=NC1=CC=CC(=C1)C(F)(F)F)N

InChI

InChI=1S/C10H11F3N2S/c1-2-16-9(14)15-8-5-3-4-7(6-8)10(11,12)13/h3-6H,2H2,1H3,(H2,14,15)