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

Systemtic Name: 3-(5-azanyl-1,3,4-thiadiazol-2-yl)benzenesulfonic acid Openeye Name: 3-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonic acid CAS Name: 3-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonic acid IUPAC Name: 3-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonic acid Traditional Name: 3-(5-amino-1,3,4-thiadiazol-2-yl)besylic acid Formula: C8H7N3O3S2 MolecularWeight: 257.28948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)C2=NN=C(S2)N

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)C2=NN=C(S2)N

InChI

InChI=1S/C8H7N3O3S2/c9-8-11-10-7(15-8)5-2-1-3-6(4-5)16(12,13)14/h1-4H,(H2,9,11)(H,12,13,14)