1,3-bis(hydroxymethyl)-5-nitro-benzimidazole-2-thione

Systemtic Name: 1,3-bis(hydroxymethyl)-5-nitro-benzimidazole-2-thione Openeye Name: 1,3-bis(hydroxymethyl)-5-nitro-benzimidazole-2-thione CAS Name: 1,3-bis(hydroxymethyl)-5-nitro-2-benzimidazolethione IUPAC Name: 1,3-bis(hydroxymethyl)-5-nitrobenzimidazole-2-thione Traditional Name: 1,3-dimethylol-5-nitro-benzimidazole-2-thione Formula: C9H9N3O4S MolecularWeight: 255.25046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N(C(=S)N2CO)CO

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N(C(=S)N2CO)CO

InChI

InChI=1S/C9H9N3O4S/c13-4-10-7-2-1-6(12(15)16)3-8(7)11(5-14)9(10)17/h1-3,13-14H,4-5H2