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

Systemtic Name: 4-[(2-imidazol-1-yl-2-methyl-1,3-dioxolan-4-yl)methylsulfanyl]aniline Openeye Name: 4-[(2-imidazol-1-yl-2-methyl-1,3-dioxolan-4-yl)methylsulfanyl]aniline CAS Name: 4-[[2-(1-imidazolyl)-2-methyl-1,3-dioxolan-4-yl]methylthio]aniline IUPAC Name: 4-[(2-imidazol-1-yl-2-methyl-1,3-dioxolan-4-yl)methylsulfanyl]aniline Traditional Name: [4-[(2-imidazol-1-yl-2-methyl-1,3-dioxolan-4-yl)methylthio]phenyl]amine Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)CSC2=CC=C(C=C2)N)N3C=CN=C3

Isomeric SMILES

CC1(OCC(O1)CSC2=CC=C(C=C2)N)N3C=CN=C3

InChI

InChI=1S/C14H17N3O2S/c1-14(17-7-6-16-10-17)18-8-12(19-14)9-20-13-4-2-11(15)3-5-13/h2-7,10,12H,8-9,15H2,1H3