2-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylaniline dihydrochloride

Systemtic Name: 2-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylaniline dihydrochloride Openeye Name: 2-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylaniline dihydrochloride CAS Name: 2-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]aniline dihydrochloride IUPAC Name: 2-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylaniline dihydrochloride Traditional Name: [2-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]phenyl]amine dihydrochloride Formula: C19H22Cl3N3S MolecularWeight: 430.82208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3.Cl.Cl

Isomeric SMILES

C1=CC=C(C(=C1)N)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3.Cl.Cl

InChI

InChI=1S/C19H20ClN3S.2ClH/c20-16-8-5-15(6-9-16)7-10-17(13-23-12-11-22-14-23)24-19-4-2-1-3-18(19)21;;/h1-6,8-9,11-12,14,17H,7,10,13,21H2;2*1H