sodium 4-[(2-sulfonatosulfanylethylamino)methyl]-2,1,3-benzothiadiazole

Systemtic Name: sodium 4-[(2-sulfonatosulfanylethylamino)methyl]-2,1,3-benzothiadiazole Openeye Name: sodium 4-[(2-sulfonatosulfanylethylamino)methyl]-2,1,3-benzothiadiazole CAS Name: sodium 4-[[2-(sulfonatothio)ethylamino]methyl]-2,1,3-benzothiadiazole IUPAC Name: sodium 4-[(2-sulfonatosulfanylethylamino)methyl]-2,1,3-benzothiadiazole Traditional Name: sodium 4-[[2-(sulfonatothio)ethylamino]methyl]piazthiole Formula: C9H10N3NaO3S3 MolecularWeight: 327.37877

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)CNCCSS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)CNCCSS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H11N3O3S3.Na/c13-18(14,15)16-5-4-10-6-7-2-1-3-8-9(7)12-17-11-8;/h1-3,10H,4-6H2,(H,13,14,15);/q;+1/p-1