[2-oxidanyl-3-(1,2,4-triazol-1-yl)propyl]sulfanylmethylphosphonic acid

Systemtic Name: [2-oxidanyl-3-(1,2,4-triazol-1-yl)propyl]sulfanylmethylphosphonic acid Openeye Name: [2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]sulfanylmethylphosphonic acid CAS Name: [[2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]thio]methylphosphonic acid IUPAC Name: [2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]sulfanylmethylphosphonic acid Traditional Name: [[2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]thio]methylphosphonic acid Formula: C6H12N3O4PS MolecularWeight: 253.215941

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN(C=N1)CC(CSCP(=O)(O)O)O

Isomeric SMILES

C1=NN(C=N1)CC(CSCP(=O)(O)O)O

InChI

InChI=1S/C6H12N3O4PS/c10-6(1-9-4-7-3-8-9)2-15-5-14(11,12)13/h3-4,6,10H,1-2,5H2,(H2,11,12,13)