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

Systemtic Name: N,N'-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]ethanimidamide trihydrochloride Openeye Name: N,N'-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]acetamidine trihydrochloride CAS Name: N,N'-bis[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]ethanimidamide trihydrochloride IUPAC Name: N,N'-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]ethanimidamide trihydrochloride Traditional Name: N,N'-bis[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]acetamidine trihydrochloride Formula: C16H29Cl3N6S2 MolecularWeight: 475.93066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N6S2.3ClH/c1-12-15(21-10-19-12)8-23-6-4-17-14(3)18-5-7-24-9-16-13(2)20-11-22-16;;;/h10-11H,4-9H2,1-3H3,(H,17,18)(H,19,21)(H,20,22);3*1H