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

Systemtic Name: 1-methyl-2-phenylsulfanyl-3-prop-2-enyl-imidazol-1-ium Openeye Name: 1-allyl-3-methyl-2-phenylsulfanyl-imidazol-3-ium CAS Name: 1-methyl-2-(phenylthio)-3-prop-2-enylimidazol-1-ium IUPAC Name: 1-methyl-2-phenylsulfanyl-3-prop-2-enylimidazol-1-ium Traditional Name: 1-allyl-3-methyl-2-(phenylthio)imidazol-3-ium Formula: C13H15N2S+ MolecularWeight: 231.3366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N2S/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/q+1