3-methyl-2-(methylsulfonylmethyl)-5-nitro-imidazole-4-carbonitrile

Systemtic Name: 3-methyl-2-(methylsulfonylmethyl)-5-nitro-imidazole-4-carbonitrile Openeye Name: 3-methyl-2-(methylsulfonylmethyl)-5-nitro-imidazole-4-carbonitrile CAS Name: 3-methyl-2-(methylsulfonylmethyl)-5-nitro-4-imidazolecarbonitrile IUPAC Name: 3-methyl-2-(methylsulfonylmethyl)-5-nitroimidazole-4-carbonitrile Traditional Name: 2-(mesylmethyl)-3-methyl-5-nitro-imidazole-4-carbonitrile Formula: C7H8N4O4S MolecularWeight: 244.22782

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=C1C#N)[N+](=O)[O-])CS(=O)(=O)C

Isomeric SMILES

CN1C(=NC(=C1C#N)[N+](=O)[O-])CS(=O)(=O)C

InChI

InChI=1S/C7H8N4O4S/c1-10-5(3-8)7(11(12)13)9-6(10)4-16(2,14)15/h4H2,1-2H3