1,1-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-oxidanyl-guanidine trihydrochloride

Systemtic Name: 1,1-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-oxidanyl-guanidine trihydrochloride Openeye Name: 2-hydroxy-1,1-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine trihydrochloride CAS Name: 2-hydroxy-1,1-bis[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine trihydrochloride IUPAC Name: 2-hydroxy-1,1-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine trihydrochloride Traditional Name: 2-hydroxy-1,1-bis[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine trihydrochloride Formula: C15H28Cl3N7OS2 MolecularWeight: 492.91812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCN(CCSCC2=C(NC=N2)C)C(=NO)N.Cl.Cl.Cl

Isomeric SMILES

CC1=C(N=CN1)CSCCN(CCSCC2=C(NC=N2)C)/C(=N\O)/N.Cl.Cl.Cl

InChI

InChI=1S/C15H25N7OS2.3ClH/c1-11-13(19-9-17-11)7-24-5-3-22(15(16)21-23)4-6-25-8-14-12(2)18-10-20-14;;;/h9-10,23H,3-8H2,1-2H3,(H2,16,21)(H,17,19)(H,18,20);3*1H