(2-azanyl-7-cyano-1,3-benzothiazol-4-yl)oxymethylphosphonic acid

Systemtic Name: (2-azanyl-7-cyano-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Openeye Name: (2-amino-7-cyano-1,3-benzothiazol-4-yl)oxymethylphosphonic acid CAS Name: (2-amino-7-cyano-1,3-benzothiazol-4-yl)oxymethylphosphonic acid IUPAC Name: (2-amino-7-cyano-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Traditional Name: (2-amino-7-cyano-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Formula: C9H8N3O4PS MolecularWeight: 285.216281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1C#N)SC(=N2)N)OCP(=O)(O)O

Isomeric SMILES

C1=CC(=C2C(=C1C#N)SC(=N2)N)OCP(=O)(O)O

InChI

InChI=1S/C9H8N3O4PS/c10-3-5-1-2-6(16-4-17(13,14)15)7-8(5)18-9(11)12-7/h1-2H,4H2,(H2,11,12)(H2,13,14,15)