methyl N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidothioate iodide

Systemtic Name: methyl N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidothioate iodide Openeye Name: 2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]isothiourea iodide CAS Name: N'-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]carbamimidothioic acid methyl ester iodide IUPAC Name: methyl N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidothioate iodide Traditional Name: 2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]isothiourea iodide Formula: C9H16IN4S2- MolecularWeight: 371.28461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCN=C(N)SC.[I-]

Isomeric SMILES

CC1=C(N=CN1)CSCCN=C(N)SC.[I-]

InChI

InChI=1S/C9H16N4S2.HI/c1-7-8(13-6-12-7)5-15-4-3-11-9(10)14-2;/h6H,3-5H2,1-2H3,(H2,10,11)(H,12,13);1H/p-1