1-(5-methoxy-2-oxidanyl-phenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(5-methoxy-2-oxidanyl-phenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(2-hydroxy-5-methoxy-phenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone CAS Name: 1-(2-hydroxy-5-methoxyphenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)thio]ethanone IUPAC Name: 1-(2-hydroxy-5-methoxyphenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(2-hydroxy-5-methoxy-phenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)thio]ethanone Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O5S/c1-24-10-3-5-14(20)11(7-10)15(21)8-25-16-17-12-4-2-9(19(22)23)6-13(12)18-16/h2-7,20H,8H2,1H3,(H,17,18)