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

Systemtic Name: 2-[[(2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline dihydrochloride Openeye Name: 2-[[(2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline dihydrochloride CAS Name: 2-[[(2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methylthio]aniline dihydrochloride IUPAC Name: 2-[[(2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline dihydrochloride Traditional Name: [2-[[(2R,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=C4N.Cl.Cl

Isomeric SMILES

C1[C@H](O[C@](O1)(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)CSC4=CC=CC=C4N.Cl.Cl

InChI

InChI=1S/C22H24ClN3O2S.2ClH/c23-18-7-5-17(6-8-18)9-10-22(15-26-12-11-25-16-26)27-13-19(28-22)14-29-21-4-2-1-3-20(21)24;;/h1-8,11-12,16,19H,9-10,13-15,24H2;2*1H/t19-,22+;;/m0../s1