methyl N-(3-chloranyl-4-fluoranyl-phenyl)-N'-phenyl-carbamimidothioate hydroiodide

Systemtic Name: methyl N-(3-chloranyl-4-fluoranyl-phenyl)-N'-phenyl-carbamimidothioate hydroiodide Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-2-methyl-3-phenyl-isothiourea hydroiodide CAS Name: N-(3-chloro-4-fluorophenyl)-N'-phenylcarbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N-(3-chloro-4-fluorophenyl)-N'-phenylcarbamimidothioate hydroiodide Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-2-methyl-3-phenyl-isothiourea hydroiodide Formula: C14H13ClFIN2S MolecularWeight: 422.687293

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=CC=C1)NC2=CC(=C(C=C2)F)Cl.I

Isomeric SMILES

CSC(=NC1=CC=CC=C1)NC2=CC(=C(C=C2)F)Cl.I

InChI

InChI=1S/C14H12ClFN2S.HI/c1-19-14(17-10-5-3-2-4-6-10)18-11-7-8-13(16)12(15)9-11;/h2-9H,1H3,(H,17,18);1H