ethyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate hydrochloride

Systemtic Name: ethyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate hydrochloride Openeye Name: 2-ethyl-3-[4-(trifluoromethyl)phenyl]isothiourea hydrochloride CAS Name: N'-[4-(trifluoromethyl)phenyl]carbamimidothioic acid ethyl ester hydrochloride IUPAC Name: ethyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate hydrochloride Traditional Name: 2-ethyl-3-[4-(trifluoromethyl)phenyl]isothiourea hydrochloride Formula: C10H12ClF3N2S MolecularWeight: 284.72889

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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