1-methyl-2-phenylsulfanyl-3-prop-2-enyl-imidazol-1-ium bromide

Systemtic Name: 1-methyl-2-phenylsulfanyl-3-prop-2-enyl-imidazol-1-ium bromide Openeye Name: 1-allyl-3-methyl-2-phenylsulfanyl-imidazol-3-ium bromide CAS Name: 1-methyl-2-(phenylthio)-3-prop-2-enylimidazol-1-ium bromide IUPAC Name: 1-methyl-2-phenylsulfanyl-3-prop-2-enylimidazol-1-ium bromide Traditional Name: 1-allyl-3-methyl-2-(phenylthio)imidazol-3-ium bromide Formula: C13H15BrN2S MolecularWeight: 311.2406

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C=C1)CC=C)SC2=CC=CC=C2.[Br-]

Isomeric SMILES

C[N+]1=C(N(C=C1)CC=C)SC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C13H15N2S.BrH/c1-3-9-15-11-10-14(2)13(15)16-12-7-5-4-6-8-12;/h3-8,10-11H,1,9H2,2H3;1H/q+1;/p-1