(2-azanyl-7-bromanyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid

Systemtic Name: (2-azanyl-7-bromanyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Openeye Name: (2-amino-7-bromo-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid CAS Name: (2-amino-7-bromo-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid IUPAC Name: (2-amino-7-bromo-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Traditional Name: (2-amino-7-bromo-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Formula: C9H7BrN3O4PS2 MolecularWeight: 396.177341

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=C(C(=C1SC#N)Br)SC(=N2)N)OCP(=O)(O)O

Isomeric SMILES

C1=C(C2=C(C(=C1SC#N)Br)SC(=N2)N)OCP(=O)(O)O

InChI

InChI=1S/C9H7BrN3O4PS2/c10-6-5(19-2-11)1-4(17-3-18(14,15)16)7-8(6)20-9(12)13-7/h1H,3H2,(H2,12,13)(H2,14,15,16)