4-(2-hydroxyethyl)-1-methyl-1,2,4-triazolidin-4-ium-3-thiolate

Systemtic Name: 4-(2-hydroxyethyl)-1-methyl-1,2,4-triazolidin-4-ium-3-thiolate Openeye Name: 4-(2-hydroxyethyl)-1-methyl-1,2,4-triazolidin-4-ium-3-thiolate CAS Name: 4-(2-hydroxyethyl)-1-methyl-1,2,4-triazolidin-4-ium-3-thiolate IUPAC Name: 4-(2-hydroxyethyl)-1-methyl-1,2,4-triazolidin-4-ium-3-thiolate Traditional Name: 4-(2-hydroxyethyl)-1-methyl-1,2,4-triazolidin-4-ium-3-thiolate Formula: C5H13N3OS MolecularWeight: 163.24122

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Descriptors Computed from Structure

Canonical SMILES:

CN1C[NH+](C(N1)[S-])CCO

Isomeric SMILES

CN1C[NH+](C(N1)[S-])CCO

InChI

InChI=1S/C5H13N3OS/c1-7-4-8(2-3-9)5(10)6-7/h5-6,9-10H,2-4H2,1H3