2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-1-ium bromide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-1-ium bromide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-1-ium bromide CAS Name: 2-[(3-chlorophenyl)methylthio]-4,5-dihydro-1H-imidazol-1-ium bromide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazol-1-ium bromide Traditional Name: 2-[(3-chlorobenzyl)thio]-2-imidazolin-1-ium bromide Formula: C10H12BrClN2S MolecularWeight: 307.63768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C([NH2+]1)SCC2=CC(=CC=C2)Cl.[Br-]

Isomeric SMILES

C1CN=C([NH2+]1)SCC2=CC(=CC=C2)Cl.[Br-]

InChI

InChI=1S/C10H11ClN2S.BrH/c11-9-3-1-2-8(6-9)7-14-10-12-4-5-13-10;/h1-3,6H,4-5,7H2,(H,12,13);1H