(4-cyanophenyl)methyl-dimethyl-sulfanium bromide

Systemtic Name: (4-cyanophenyl)methyl-dimethyl-sulfanium bromide Openeye Name: (4-cyanophenyl)methyl-dimethyl-sulfonium bromide CAS Name: (4-cyanophenyl)methyl-dimethylsulfonium bromide IUPAC Name: (4-cyanophenyl)methyl-dimethylsulfanium bromide Traditional Name: (4-cyanobenzyl)-dimethyl-sulfonium bromide Formula: C10H12BrNS MolecularWeight: 258.17798

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)CC1=CC=C(C=C1)C#N.[Br-]

Isomeric SMILES

C[S+](C)CC1=CC=C(C=C1)C#N.[Br-]

InChI

InChI=1S/C10H12NS.BrH/c1-12(2)8-10-5-3-9(7-11)4-6-10;/h3-6H,8H2,1-2H3;1H/q+1;/p-1