2-(3-methyl-5-nitro-imidazol-4-yl)sulfanylethanenitrile

Systemtic Name: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanylethanenitrile Openeye Name: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanylacetonitrile CAS Name: 2-[(3-methyl-5-nitro-4-imidazolyl)thio]acetonitrile IUPAC Name: 2-(3-methyl-5-nitroimidazol-4-yl)sulfanylacetonitrile Traditional Name: 2-[(3-methyl-5-nitro-imidazol-4-yl)thio]acetonitrile Formula: C6H6N4O2S MolecularWeight: 198.20244

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SCC#N)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SCC#N)[N+](=O)[O-]

InChI

InChI=1S/C6H6N4O2S/c1-9-4-8-5(10(11)12)6(9)13-3-2-7/h4H,3H2,1H3