2-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethylsulfanyl)-1H-benzimidazole

Systemtic Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethylsulfanyl)-1H-benzimidazole Openeye Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethylsulfanyl)-1H-benzimidazole CAS Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethylthio)-1H-benzimidazole IUPAC Name: 2-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethylsulfanyl)-1H-benzimidazole Traditional Name: 2-(2-imidazolin-1-ium-2-ylmethylthio)-1H-benzimidazole Formula: C11H13N4S+ MolecularWeight: 233.31272

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(N1)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

C1C[NH+]=C(N1)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C11H12N4S/c1-2-4-9-8(3-1)14-11(15-9)16-7-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13)(H,14,15)/p+1