disodium [2-(2,1,3-benzothiadiazol-4-ylmethylamino)-1-sulfanidyl-ethyl]-oxidanyl-phosphinate

Systemtic Name: disodium [2-(2,1,3-benzothiadiazol-4-ylmethylamino)-1-sulfanidyl-ethyl]-oxidanyl-phosphinate Openeye Name: disodium [2-(2,1,3-benzothiadiazol-4-ylmethylamino)-1-sulfido-ethyl]-hydroxy-phosphinate CAS Name: disodium [2-(2,1,3-benzothiadiazol-4-ylmethylamino)-1-sulfidoethyl]-hydroxyphosphinate IUPAC Name: disodium [2-(2,1,3-benzothiadiazol-4-ylmethylamino)-1-sulfidoethyl]-hydroxyphosphinate Traditional Name: disodium hydroxy-[2-(piazthiol-4-ylmethylamino)-1-sulfido-ethyl]phosphinate Formula: C9H10N3Na2O3PS2 MolecularWeight: 349.277301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)CNCC(P(=O)(O)[O-])[S-].[Na+].[Na+]

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)CNCC(P(=O)(O)[O-])[S-].[Na+].[Na+]

InChI

InChI=1S/C9H12N3O3PS2.2Na/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);;/q;2*+1/p-2