(1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)methylphosphonic acid

Systemtic Name: (1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)methylphosphonic acid Openeye Name: (1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)methylphosphonic acid CAS Name: (3-mercapto-1,5-dimethyl-1,2,4-triazolidin-4-yl)methylphosphonic acid IUPAC Name: (1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)methylphosphonic acid Traditional Name: (3-mercapto-1,5-dimethyl-1,2,4-triazolidin-4-yl)methylphosphonic acid Formula: C5H14N3O3PS MolecularWeight: 227.221721

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(N1CP(=O)(O)O)S)C

Isomeric SMILES

CC1N(NC(N1CP(=O)(O)O)S)C

InChI

InChI=1S/C5H14N3O3PS/c1-4-7(2)6-5(13)8(4)3-12(9,10)11/h4-6,13H,3H2,1-2H3,(H2,9,10,11)