2-[(4-nitrophenyl)methylsulfanyl]-1H-benzimidazol-3-ium

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-1H-benzimidazol-3-ium Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-1H-benzimidazol-3-ium CAS Name: 2-[(4-nitrophenyl)methylthio]-1H-benzimidazol-3-ium IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-1H-benzimidazol-3-ium Traditional Name: 2-[(4-nitrobenzyl)thio]-1H-benzimidazol-3-ium Formula: C14H12N3O2S+ MolecularWeight: 286.32898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O2S/c18-17(19)11-7-5-10(6-8-11)9-20-14-15-12-3-1-2-4-13(12)16-14/h1-8H,9H2,(H,15,16)/p+1