2-(3-methylbutylsulfanyl)-1H-benzimidazol-3-ium

Systemtic Name: 2-(3-methylbutylsulfanyl)-1H-benzimidazol-3-ium Openeye Name: 2-isopentylsulfanyl-1H-benzimidazol-3-ium CAS Name: 2-(3-methylbutylthio)-1H-benzimidazol-3-ium IUPAC Name: 2-(3-methylbutylsulfanyl)-1H-benzimidazol-3-ium Traditional Name: 2-(isoamylthio)-1H-benzimidazol-3-ium Formula: C12H17N2S+ MolecularWeight: 221.34178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=[NH+]C2=CC=CC=C2N1

Isomeric SMILES

CC(C)CCSC1=[NH+]C2=CC=CC=C2N1

InChI

InChI=1S/C12H16N2S/c1-9(2)7-8-15-12-13-10-5-3-4-6-11(10)14-12/h3-6,9H,7-8H2,1-2H3,(H,13,14)/p+1