4-(2-azanyl-1,3,4-thiadiazol-3-ium-3-yl)butane-1-sulfonate

Systemtic Name: 4-(2-azanyl-1,3,4-thiadiazol-3-ium-3-yl)butane-1-sulfonate Openeye Name: 4-(2-amino-1,3,4-thiadiazol-3-ium-3-yl)butane-1-sulfonate CAS Name: 4-(2-amino-1,3,4-thiadiazol-3-ium-3-yl)-1-butanesulfonate IUPAC Name: 4-(2-amino-1,3,4-thiadiazol-3-ium-3-yl)butane-1-sulfonate Traditional Name: 4-(2-amino-1,3,4-thiadiazol-3-ium-3-yl)butane-1-sulfonate Formula: C6H11N3O3S2 MolecularWeight: 237.29984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=N[N+](=C(S1)N)CCCCS(=O)(=O)[O-]

Isomeric SMILES

C1=N[N+](=C(S1)N)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C6H11N3O3S2/c7-6-9(8-5-13-6)3-1-2-4-14(10,11)12/h5,7H,1-4H2,(H,10,11,12)