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

Systemtic Name: 4-[(2-sulfosulfanylethylamino)methyl]-2,1,3-benzothiadiazole Openeye Name: 4-[(2-sulfosulfanylethylamino)methyl]-2,1,3-benzothiadiazole CAS Name: 4-[[2-(sulfothio)ethylamino]methyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[(2-sulfosulfanylethylamino)methyl]-2,1,3-benzothiadiazole Traditional Name: 4-[[2-(sulfothio)ethylamino]methyl]piazthiole Formula: C9H11N3O3S3 MolecularWeight: 305.39694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)CNCCSS(=O)(=O)O

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)CNCCSS(=O)(=O)O

InChI

InChI=1S/C9H11N3O3S3/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)