1,5-dimethyl-4-(sulfomethyl)-1,2,4-triazolidine-3-thiolate

Systemtic Name: 1,5-dimethyl-4-(sulfomethyl)-1,2,4-triazolidine-3-thiolate Openeye Name: 1,5-dimethyl-4-(sulfomethyl)-1,2,4-triazolidine-3-thiolate CAS Name: 1,5-dimethyl-4-(sulfomethyl)-1,2,4-triazolidine-3-thiolate IUPAC Name: 1,5-dimethyl-4-(sulfomethyl)-1,2,4-triazolidine-3-thiolate Traditional Name: 1,5-dimethyl-4-(sulfomethyl)-1,2,4-triazolidine-3-thiolate Formula: C5H12N3O3S2- MolecularWeight: 226.29708

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(N1CS(=O)(=O)O)[S-])C

Isomeric SMILES

CC1N(NC(N1CS(=O)(=O)O)[S-])C

InChI

InChI=1S/C5H13N3O3S2/c1-4-7(2)6-5(12)8(4)3-13(9,10)11/h4-6,12H,3H2,1-2H3,(H,9,10,11)/p-1