3-[[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline dihydrochloride

Systemtic Name: 3-[[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline dihydrochloride Openeye Name: 3-[[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline dihydrochloride CAS Name: 3-[[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methylthio]aniline dihydrochloride IUPAC Name: 3-[[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline dihydrochloride Traditional Name: [3-[[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylthio]phenyl]amine dihydrochloride Formula: C22H26Cl3N3O2S MolecularWeight: 502.88474

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)CSC4=CC=CC(=C4)N.Cl.Cl

Isomeric SMILES

C1[C@H](O[C@@](O1)(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)CSC4=CC=CC(=C4)N.Cl.Cl

InChI

InChI=1S/C22H24ClN3O2S.2ClH/c23-18-6-4-17(5-7-18)8-9-22(15-26-11-10-25-16-26)27-13-20(28-22)14-29-21-3-1-2-19(24)12-21;;/h1-7,10-12,16,20H,8-9,13-15,24H2;2*1H/t20-,22-;;/m0../s1