3-(3-methylbutyl)-1H-benzimidazol-3-ium-2-thiol

Systemtic Name: 3-(3-methylbutyl)-1H-benzimidazol-3-ium-2-thiol Openeye Name: 3-isopentyl-1H-benzimidazol-3-ium-2-thiol CAS Name: 3-(3-methylbutyl)-1H-benzimidazol-3-ium-2-thiol IUPAC Name: 3-(3-methylbutyl)-1H-benzimidazol-3-ium-2-thiol Traditional Name: 3-isoamyl-1H-benzimidazol-3-ium-2-thiol Formula: C12H17N2S+ MolecularWeight: 221.34178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[N+]1=C(NC2=CC=CC=C21)S

Isomeric SMILES

CC(C)CC[N+]1=C(NC2=CC=CC=C21)S

InChI

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