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

Systemtic Name: 1,2-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine trihydrochloride Openeye Name: 1,2-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine trihydrochloride CAS Name: 1,2-bis[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine trihydrochloride IUPAC Name: 1,2-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine trihydrochloride Traditional Name: 1,2-bis[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine trihydrochloride Formula: C15H28Cl3N7S2 MolecularWeight: 476.91872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=NCCSCC2=C(NC=N2)C)N.Cl.Cl.Cl

Isomeric SMILES

CC1=C(N=CN1)CSCCNC(=NCCSCC2=C(NC=N2)C)N.Cl.Cl.Cl

InChI

InChI=1S/C15H25N7S2.3ClH/c1-11-13(21-9-19-11)7-23-5-3-17-15(16)18-4-6-24-8-14-12(2)20-10-22-14;;;/h9-10H,3-8H2,1-2H3,(H,19,21)(H,20,22)(H3,16,17,18);3*1H