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

Systemtic Name: 4-[4-(2,4-dichlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanylaniline dihydrochloride Openeye Name: 4-[3-(2,4-dichlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanylaniline dihydrochloride CAS Name: 4-[[4-(2,4-dichlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]aniline dihydrochloride IUPAC Name: 4-[4-(2,4-dichlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylaniline dihydrochloride Traditional Name: [4-[[3-(2,4-dichlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]phenyl]amine dihydrochloride Formula: C19H21Cl4N3S MolecularWeight: 465.26714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)SC(CCC2=C(C=C(C=C2)Cl)Cl)CN3C=CN=C3.Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1N)SC(CCC2=C(C=C(C=C2)Cl)Cl)CN3C=CN=C3.Cl.Cl

InChI

InChI=1S/C19H19Cl2N3S.2ClH/c20-15-3-1-14(19(21)11-15)2-6-18(12-24-10-9-23-13-24)25-17-7-4-16(22)5-8-17;;/h1,3-5,7-11,13,18H,2,6,12,22H2;2*1H