3-(3-methyl-5-nitro-imidazol-4-yl)sulfanylpropanenitrile

Systemtic Name: 3-(3-methyl-5-nitro-imidazol-4-yl)sulfanylpropanenitrile Openeye Name: 3-(3-methyl-5-nitro-imidazol-4-yl)sulfanylpropanenitrile CAS Name: 3-[(3-methyl-5-nitro-4-imidazolyl)thio]propanenitrile IUPAC Name: 3-(3-methyl-5-nitroimidazol-4-yl)sulfanylpropanenitrile Traditional Name: 3-[(3-methyl-5-nitro-imidazol-4-yl)thio]propionitrile Formula: C7H8N4O2S MolecularWeight: 212.22902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SCCC#N)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C7H8N4O2S/c1-10-5-9-6(11(12)13)7(10)14-4-2-3-8/h5H,2,4H2,1H3