[2-(2,1,3-benzothiadiazol-4-ylmethylamino)-1-sulfanyl-ethyl]phosphonic acid

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylmethylamino)-1-sulfanyl-ethyl]phosphonic acid Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylmethylamino)-1-sulfanyl-ethyl]phosphonic acid CAS Name: [2-(2,1,3-benzothiadiazol-4-ylmethylamino)-1-mercaptoethyl]phosphonic acid IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylmethylamino)-1-sulfanylethyl]phosphonic acid Traditional Name: [1-mercapto-2-(piazthiol-4-ylmethylamino)ethyl]phosphonic acid Formula: C9H12N3O3PS2 MolecularWeight: 305.313641

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)CNCC(P(=O)(O)O)S

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)CNCC(P(=O)(O)O)S

InChI

InChI=1S/C9H12N3O3PS2/c13-16(14,15)8(17)5-10-4-6-2-1-3-7-9(6)12-18-11-7/h1-3,8,10,17H,4-5H2,(H2,13,14,15)