methyl N-methyl-N-methylsulfonyl-N'-nitro-carbamimidothioate

Systemtic Name: methyl N-methyl-N-methylsulfonyl-N'-nitro-carbamimidothioate Openeye Name: 1,2-dimethyl-1-methylsulfonyl-3-nitro-isothiourea CAS Name: N-methyl-N-methylsulfonyl-N'-nitrocarbamimidothioic acid methyl ester IUPAC Name: methyl N-methyl-N-methylsulfonyl-N'-nitrocarbamimidothioate Traditional Name: 1-mesyl-1,2-dimethyl-3-nitro-isothiourea Formula: C4H9N3O4S2 MolecularWeight: 227.26196

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=N[N+](=O)[O-])SC)S(=O)(=O)C

Isomeric SMILES

CN(/C(=N/[N+](=O)[O-])/SC)S(=O)(=O)C

InChI

InChI=1S/C4H9N3O4S2/c1-6(13(3,10)11)4(12-2)5-7(8)9/h1-3H3/b5-4-