1-[1-(2-hydroxyethyl)-5-nitro-benzimidazol-2-yl]sulfanylpropan-2-one

Systemtic Name: 1-[1-(2-hydroxyethyl)-5-nitro-benzimidazol-2-yl]sulfanylpropan-2-one Openeye Name: 1-[1-(2-hydroxyethyl)-5-nitro-benzimidazol-2-yl]sulfanylpropan-2-one CAS Name: 1-[[1-(2-hydroxyethyl)-5-nitro-2-benzimidazolyl]thio]-2-propanone IUPAC Name: 1-[1-(2-hydroxyethyl)-5-nitrobenzimidazol-2-yl]sulfanylpropan-2-one Traditional Name: 1-[[1-(2-hydroxyethyl)-5-nitro-benzimidazol-2-yl]thio]acetone Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(N1CCO)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CSC1=NC2=C(N1CCO)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4S/c1-8(17)7-20-12-13-10-6-9(15(18)19)2-3-11(10)14(12)4-5-16/h2-3,6,16H,4-5,7H2,1H3