2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazol-3-ium

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazol-3-ium Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazol-3-ium CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-benzimidazol-3-ium IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazol-3-ium Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-benzimidazol-3-ium Formula: C16H14ClN2O2S+ MolecularWeight: 333.81256

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=[NH+]C4=CC=CC=C4N3)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=[NH+]C4=CC=CC=C4N3)Cl

InChI

InChI=1S/C16H13ClN2O2S/c17-12-5-10-7-20-9-21-15(10)11(6-12)8-22-16-18-13-3-1-2-4-14(13)19-16/h1-6H,7-9H2,(H,18,19)/p+1