2-[(4-bromophenyl)methylsulfanyl]-4,5-dimethyl-1H-benzimidazol-3-ium

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-4,5-dimethyl-1H-benzimidazol-3-ium Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-4,5-dimethyl-1H-benzimidazol-3-ium CAS Name: 2-[(4-bromophenyl)methylthio]-4,5-dimethyl-1H-benzimidazol-3-ium IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-4,5-dimethyl-1H-benzimidazol-3-ium Traditional Name: 2-[(4-bromobenzyl)thio]-4,5-dimethyl-1H-benzimidazol-3-ium Formula: C16H16BrN2S+ MolecularWeight: 348.28064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)NC(=[NH+]2)SCC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C2=C(C=C1)NC(=[NH+]2)SCC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C16H15BrN2S/c1-10-3-8-14-15(11(10)2)19-16(18-14)20-9-12-4-6-13(17)7-5-12/h3-8H,9H2,1-2H3,(H,18,19)/p+1