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

Systemtic Name: 3-(2-methylpropyl)-1H-benzimidazol-3-ium-2-thiol Openeye Name: 3-isobutyl-1H-benzimidazol-3-ium-2-thiol CAS Name: 3-(2-methylpropyl)-1H-benzimidazol-3-ium-2-thiol IUPAC Name: 3-(2-methylpropyl)-1H-benzimidazol-3-ium-2-thiol Traditional Name: 3-isobutyl-1H-benzimidazol-3-ium-2-thiol Formula: C11H15N2S+ MolecularWeight: 207.3152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2S/c1-8(2)7-13-10-6-4-3-5-9(10)12-11(13)14/h3-6,8H,7H2,1-2H3,(H,12,14)/p+1