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

Systemtic Name: 1,5-dimethyl-4-(phosphonomethyl)-1,2,4-triazolidine-3-thiolate Openeye Name: 1,5-dimethyl-4-(phosphonomethyl)-1,2,4-triazolidine-3-thiolate CAS Name: 1,5-dimethyl-4-(phosphonomethyl)-1,2,4-triazolidine-3-thiolate IUPAC Name: 1,5-dimethyl-4-(phosphonomethyl)-1,2,4-triazolidine-3-thiolate Traditional Name: 1,5-dimethyl-4-(phosphonomethyl)-1,2,4-triazolidine-3-thiolate Formula: C5H13N3O3PS- MolecularWeight: 226.213781

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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)/p-1