2-(2-methyl-5-nitro-imidazol-1-yl)ethanethiol

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethanethiol Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethanethiol CAS Name: 2-(2-methyl-5-nitro-1-imidazolyl)ethanethiol IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanethiol Traditional Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethanethiol Formula: C6H9N3O2S MolecularWeight: 187.21956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCS)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCS)[N+](=O)[O-]

InChI

InChI=1S/C6H9N3O2S/c1-5-7-4-6(9(10)11)8(5)2-3-12/h4,12H,2-3H2,1H3