4-[[1-[(4-aminophenyl)methylsulfanyl]-2-imidazol-1-yl-ethyl]sulfanylmethyl]aniline trihydrochloride

Systemtic Name: 4-[[1-[(4-aminophenyl)methylsulfanyl]-2-imidazol-1-yl-ethyl]sulfanylmethyl]aniline trihydrochloride Openeye Name: 4-[[1-[(4-aminophenyl)methylsulfanyl]-2-imidazol-1-yl-ethyl]sulfanylmethyl]aniline trihydrochloride CAS Name: 4-[[[1-[(4-aminophenyl)methylthio]-2-(1-imidazolyl)ethyl]thio]methyl]aniline trihydrochloride IUPAC Name: 4-[[1-[(4-aminophenyl)methylsulfanyl]-2-imidazol-1-ylethyl]sulfanylmethyl]aniline trihydrochloride Traditional Name: [4-[[[1-[(4-aminobenzyl)thio]-2-imidazol-1-yl-ethyl]thio]methyl]phenyl]amine trihydrochloride Formula: C19H25Cl3N4S2 MolecularWeight: 479.9176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(CN2C=CN=C2)SCC3=CC=C(C=C3)N)N.Cl.Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1CSC(CN2C=CN=C2)SCC3=CC=C(C=C3)N)N.Cl.Cl.Cl

InChI

InChI=1S/C19H22N4S2.3ClH/c20-17-5-1-15(2-6-17)12-24-19(11-23-10-9-22-14-23)25-13-16-3-7-18(21)8-4-16;;;/h1-10,14,19H,11-13,20-21H2;3*1H