(5-azanyl-3-phenyl-1,2,4-triazol-1-yl)-butan-2-yloxy-phosphinic acid

Systemtic Name: (5-azanyl-3-phenyl-1,2,4-triazol-1-yl)-butan-2-yloxy-phosphinic acid Openeye Name: (5-amino-3-phenyl-1,2,4-triazol-1-yl)-sec-butoxy-phosphinic acid CAS Name: (5-amino-3-phenyl-1,2,4-triazol-1-yl)-butan-2-yloxyphosphinic acid IUPAC Name: (5-amino-3-phenyl-1,2,4-triazol-1-yl)-butan-2-yloxyphosphinic acid Traditional Name: (5-amino-3-phenyl-1,2,4-triazol-1-yl)-sec-butoxy-phosphinic acid Formula: C12H17N4O3P MolecularWeight: 296.262141

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OP(=O)(N1C(=NC(=N1)C2=CC=CC=C2)N)O

Isomeric SMILES

CCC(C)OP(=O)(N1C(=NC(=N1)C2=CC=CC=C2)N)O

InChI

InChI=1S/C12H17N4O3P/c1-3-9(2)19-20(17,18)16-12(13)14-11(15-16)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,17,18)(H2,13,14,15)