1-methyl-4-(2-sulfoethyl)-1,2,4-triazolidine-3-thiolate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C(N1)[S-])CCS(=O)(=O)O

Isomeric SMILES

CN1CN(C(N1)[S-])CCS(=O)(=O)O

InChI

InChI=1S/C5H13N3O3S2/c1-7-4-8(5(12)6-7)2-3-13(9,10)11/h5-6,12H,2-4H2,1H3,(H,9,10,11)/p-1