4-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzenesulfonic acid

Systemtic Name: 4-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzenesulfonic acid Openeye Name: 4-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)benzenesulfonic acid CAS Name: 4-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzenesulfonic acid IUPAC Name: 4-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzenesulfonic acid Traditional Name: 4-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)besylic acid Formula: C8H6N2O3S3 MolecularWeight: 274.33984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=S)S2)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=S)S2)S(=O)(=O)O

InChI

InChI=1S/C8H6N2O3S3/c11-16(12,13)6-3-1-5(2-4-6)7-9-10-8(14)15-7/h1-4H,(H,10,14)(H,11,12,13)