1-methyl-3-(phenylmethyl)-2-phenylsulfanyl-imidazol-1-ium

Systemtic Name: 1-methyl-3-(phenylmethyl)-2-phenylsulfanyl-imidazol-1-ium Openeye Name: 1-benzyl-3-methyl-2-phenylsulfanyl-imidazol-3-ium CAS Name: 1-methyl-3-(phenylmethyl)-2-(phenylthio)imidazol-1-ium IUPAC Name: 1-benzyl-3-methyl-2-phenylsulfanylimidazol-3-ium Traditional Name: 1-benzyl-3-methyl-2-(phenylthio)imidazol-3-ium Formula: C17H17N2S+ MolecularWeight: 281.39528

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C=C1)CC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C[N+]1=C(N(C=C1)CC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C17H17N2S/c1-18-12-13-19(14-15-8-4-2-5-9-15)17(18)20-16-10-6-3-7-11-16/h2-13H,14H2,1H3/q+1