2-[[2-(imidazol-1-ylmethyl)-2-phenethyl-1,3-dioxolan-4-yl]methylsulfanyl]aniline

Systemtic Name: 2-[[2-(imidazol-1-ylmethyl)-2-phenethyl-1,3-dioxolan-4-yl]methylsulfanyl]aniline Openeye Name: 2-[[2-(imidazol-1-ylmethyl)-2-phenethyl-1,3-dioxolan-4-yl]methylsulfanyl]aniline CAS Name: 2-[[2-(1-imidazolylmethyl)-2-phenethyl-1,3-dioxolan-4-yl]methylthio]aniline IUPAC Name: 2-[[2-(imidazol-1-ylmethyl)-2-phenethyl-1,3-dioxolan-4-yl]methylsulfanyl]aniline Traditional Name: [2-[[2-(imidazol-1-ylmethyl)-2-phenethyl-1,3-dioxolan-4-yl]methylthio]phenyl]amine Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)(CCC2=CC=CC=C2)CN3C=CN=C3)CSC4=CC=CC=C4N

Isomeric SMILES

C1C(OC(O1)(CCC2=CC=CC=C2)CN3C=CN=C3)CSC4=CC=CC=C4N

InChI

InChI=1S/C22H25N3O2S/c23-20-8-4-5-9-21(20)28-15-19-14-26-22(27-19,16-25-13-12-24-17-25)11-10-18-6-2-1-3-7-18/h1-9,12-13,17,19H,10-11,14-16,23H2