1-[2-(dioxidanyl)ethyl]-4-ethanethioyl-5-methyl-1,2,4-triazolidine-3-thiolate

Systemtic Name: 1-[2-(dioxidanyl)ethyl]-4-ethanethioyl-5-methyl-1,2,4-triazolidine-3-thiolate Openeye Name: 4-ethanethioyl-1-(2-hydroperoxyethyl)-5-methyl-1,2,4-triazolidine-3-thiolate CAS Name: 1-(2-hydroperoxyethyl)-5-methyl-4-(1-sulfanylideneethyl)-1,2,4-triazolidine-3-thiolate IUPAC Name: 4-ethanethioyl-1-(2-hydroperoxyethyl)-5-methyl-1,2,4-triazolidine-3-thiolate Traditional Name: 1-(2-hydroperoxyethyl)-5-methyl-4-thioacetyl-1,2,4-triazolidine-3-thiolate Formula: C7H14N3O2S2- MolecularWeight: 236.33496

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(N1C(=S)C)[S-])CCOO

Isomeric SMILES

CC1N(NC(N1C(=S)C)[S-])CCOO

InChI

InChI=1S/C7H15N3O2S2/c1-5-9(3-4-12-11)8-7(14)10(5)6(2)13/h5,7-8,11,14H,3-4H2,1-2H3/p-1