(2S)-1-(2-hydroxyethyloxy)-3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]propan-2-ol

Systemtic Name: (2S)-1-(2-hydroxyethyloxy)-3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]propan-2-ol Openeye Name: (2S)-1-(2-hydroxyethoxy)-3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]propan-2-ol CAS Name: (2S)-1-(2-hydroxyethoxy)-3-[(6-nitro-1H-benzimidazol-2-yl)thio]-2-propanol IUPAC Name: (2S)-1-(2-hydroxyethoxy)-3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]propan-2-ol Traditional Name: (2S)-1-(2-hydroxyethoxy)-3-[(6-nitro-1H-benzimidazol-2-yl)thio]propan-2-ol Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)SCC(COCCO)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)SC[C@H](COCCO)O

InChI

InChI=1S/C12H15N3O5S/c16-3-4-20-6-9(17)7-21-12-13-10-2-1-8(15(18)19)5-11(10)14-12/h1-2,5,9,16-17H,3-4,6-7H2,(H,13,14)/t9-/m0/s1