[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-methylimino-methanesulfonic acid

Systemtic Name: [2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-methylimino-methanesulfonic acid Openeye Name: [2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-methylimino-methanesulfonic acid CAS Name: [2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-methyliminomethanesulfonic acid IUPAC Name: [2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-methyliminomethanesulfonic acid Traditional Name: [2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-methylimino-methanesulfonic acid Formula: C9H16N4O3S2 MolecularWeight: 292.37834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=NC)S(=O)(=O)O

Isomeric SMILES

CC1=C(N=CN1)CSCCNC(=NC)S(=O)(=O)O

InChI

InChI=1S/C9H16N4O3S2/c1-7-8(13-6-12-7)5-17-4-3-11-9(10-2)18(14,15)16/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13)(H,14,15,16)