methyl N'-(1-methylimidazol-2-yl)-N-phenyl-carbamimidothioate hydroiodide

Systemtic Name: methyl N'-(1-methylimidazol-2-yl)-N-phenyl-carbamimidothioate hydroiodide Openeye Name: 2-methyl-3-(1-methylimidazol-2-yl)-1-phenyl-isothiourea hydroiodide CAS Name: N'-(1-methyl-2-imidazolyl)-N-phenylcarbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-(1-methylimidazol-2-yl)-N-phenylcarbamimidothioate hydroiodide Traditional Name: 2-methyl-3-(1-methylimidazol-2-yl)-1-phenyl-isothiourea hydroiodide Formula: C12H15IN4S MolecularWeight: 374.24377

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1N=C(NC2=CC=CC=C2)SC.I

Isomeric SMILES

CN1C=CN=C1/N=C(/NC2=CC=CC=C2)\SC.I

InChI

InChI=1S/C12H14N4S.HI/c1-16-9-8-13-11(16)15-12(17-2)14-10-6-4-3-5-7-10;/h3-9H,1-2H3,(H,13,14,15);1H