methyl N'-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]carbamimidothioate iodide

Systemtic Name: methyl N'-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]carbamimidothioate iodide Openeye Name: 2-methyl-3-[4-phenyl-5-(trifluoromethyl)-3-thienyl]isothiourea iodide CAS Name: N'-[4-phenyl-5-(trifluoromethyl)-3-thiophenyl]carbamimidothioic acid methyl ester iodide IUPAC Name: methyl N'-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]carbamimidothioate iodide Traditional Name: 2-methyl-3-[4-phenyl-5-(trifluoromethyl)-3-thienyl]isothiourea iodide Formula: C13H11F3IN2S2- MolecularWeight: 443.26952

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CSC(=C1C2=CC=CC=C2)C(F)(F)F)N.[I-]

Isomeric SMILES

CSC(=NC1=CSC(=C1C2=CC=CC=C2)C(F)(F)F)N.[I-]

InChI

InChI=1S/C13H11F3N2S2.HI/c1-19-12(17)18-9-7-20-11(13(14,15)16)10(9)8-5-3-2-4-6-8;/h2-7H,1H3,(H2,17,18);1H/p-1