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

Systemtic Name: 1,2-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propyl]guanidine trihydrochloride Openeye Name: 1,2-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propyl]guanidine trihydrochloride CAS Name: 1,2-bis[2-[(5-methyl-1H-imidazol-4-yl)methylthio]propyl]guanidine trihydrochloride IUPAC Name: 1,2-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propyl]guanidine trihydrochloride Traditional Name: 1,2-bis[2-[(5-methyl-1H-imidazol-4-yl)methylthio]propyl]guanidine trihydrochloride Formula: C17H32Cl3N7S2 MolecularWeight: 504.97188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSC(C)CNC(=NCC(C)SCC2=C(NC=N2)C)N.Cl.Cl.Cl

Isomeric SMILES

CC1=C(N=CN1)CSC(C)CNC(=NCC(C)SCC2=C(NC=N2)C)N.Cl.Cl.Cl

InChI

InChI=1S/C17H29N7S2.3ClH/c1-11(25-7-15-13(3)21-9-23-15)5-19-17(18)20-6-12(2)26-8-16-14(4)22-10-24-16;;;/h9-12H,5-8H2,1-4H3,(H,21,23)(H,22,24)(H3,18,19,20);3*1H