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

Systemtic Name: 1-(4-methoxyphenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone hydrobromide Openeye Name: 1-(4-methoxyphenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone hydrobromide CAS Name: 1-(4-methoxyphenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)thio]ethanone hydrobromide IUPAC Name: 1-(4-methoxyphenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone hydrobromide Traditional Name: 1-(4-methoxyphenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)thio]ethanone hydrobromide Formula: C16H14BrN3O4S MolecularWeight: 424.26906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-].Br

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-].Br

InChI

InChI=1S/C16H13N3O4S.BrH/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);1H