N-[(S)-phenyl(phosphonato)methyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: N-[(S)-phenyl(phosphonato)methyl]-1H-1,2,4-triazol-5-amine Openeye Name: N-[(S)-phenyl(phosphonato)methyl]-1H-1,2,4-triazol-5-amine CAS Name: N-[(S)-phenyl(phosphonato)methyl]-1H-1,2,4-triazol-5-amine IUPAC Name: N-[(S)-phenyl(phosphonato)methyl]-1H-1,2,4-triazol-5-amine Traditional Name: [(S)-phenyl(phosphonato)methyl]-(1H-1,2,4-triazol-5-yl)amine Formula: C9H9N4O3P-2 MolecularWeight: 252.166521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(NC2=NC=NN2)P(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](NC2=NC=NN2)P(=O)([O-])[O-]

InChI

InChI=1S/C9H11N4O3P/c14-17(15,16)8(7-4-2-1-3-5-7)12-9-10-6-11-13-9/h1-6,8H,(H2,14,15,16)(H2,10,11,12,13)/p-2/t8-/m0/s1