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1-[3,4-bis(oxidanyl)phenyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone

1-[3,4-bis(oxidanyl)phenyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone

Systemtic Name:1-[3,4-bis(oxidanyl)phenyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone
Openeye Name:1-(3,4-dihydroxyphenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone
CAS Name:1-(3,4-dihydroxyphenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)thio]ethanone
IUPAC Name:1-(3,4-dihydroxyphenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone
Traditional Name:1-(3,4-dihydroxyphenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)thio]ethanone
Formula: C15H11N3O5S
MolecularWeight: 345.32994
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])O)O


Isomeric SMILES

C1=CC(=C(C=C1C(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])O)O


InChI

InChI=1S/C15H11N3O5S/c19-12-4-1-8(5-13(12)20)14(21)7-24-15-16-10-3-2-9(18(22)23)6-11(10)17-15/h1-6,19-20H,7H2,(H,16,17)


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