1-(4-methoxyphenyl)-2-[(6-nitro-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-methoxyphenyl)-2-[(6-nitro-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanone Openeye Name: 1-(4-methoxyphenyl)-2-[(6-nitro-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanone CAS Name: 1-(4-methoxyphenyl)-2-[(6-nitro-1H-benzimidazol-3-ium-2-yl)thio]ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-[(6-nitro-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanone Traditional Name: 1-(4-methoxyphenyl)-2-[(6-nitro-1H-benzimidazol-3-ium-2-yl)thio]ethanone Formula: C16H14N3O4S+ MolecularWeight: 344.36506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=[NH+]C3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=[NH+]C3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4S/c1-23-12-5-2-10(3-6-12)15(20)9-24-16-17-13-7-4-11(19(21)22)8-14(13)18-16/h2-8H,9H2,1H3,(H,17,18)/p+1