N-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-2-methylsulfanyl-aniline

Systemtic Name: N-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-2-methylsulfanyl-aniline Openeye Name: N-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-2-methylsulfanyl-aniline CAS Name: N-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-2-(methylthio)aniline IUPAC Name: N-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-2-methylsulfanylaniline Traditional Name: (5-methyl-1H-imidazol-3-ium-4-yl)methyl-[2-(methylthio)phenyl]amine Formula: C12H16N3S+ MolecularWeight: 234.34054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=CN1)CNC2=CC=CC=C2SC

Isomeric SMILES

CC1=C([NH+]=CN1)CNC2=CC=CC=C2SC

InChI

InChI=1S/C12H15N3S/c1-9-11(15-8-14-9)7-13-10-5-3-4-6-12(10)16-2/h3-6,8,13H,7H2,1-2H3,(H,14,15)/p+1