(2-azanyl-1,3-benzothiazol-4-yl)sulfanylmethylphosphonic acid

Systemtic Name: (2-azanyl-1,3-benzothiazol-4-yl)sulfanylmethylphosphonic acid Openeye Name: (2-amino-1,3-benzothiazol-4-yl)sulfanylmethylphosphonic acid CAS Name: [(2-amino-1,3-benzothiazol-4-yl)thio]methylphosphonic acid IUPAC Name: (2-amino-1,3-benzothiazol-4-yl)sulfanylmethylphosphonic acid Traditional Name: [(2-amino-1,3-benzothiazol-4-yl)thio]methylphosphonic acid Formula: C8H9N2O3PS2 MolecularWeight: 276.272421

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCP(=O)(O)O)N=C(S2)N

Isomeric SMILES

C1=CC2=C(C(=C1)SCP(=O)(O)O)N=C(S2)N

InChI

InChI=1S/C8H9N2O3PS2/c9-8-10-7-5(15-4-14(11,12)13)2-1-3-6(7)16-8/h1-3H,4H2,(H2,9,10)(H2,11,12,13)