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

Systemtic Name: 4-[(5-azanyl-1,3,4-thiadiazol-2-yl)methoxy]benzenesulfonic acid Openeye Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]benzenesulfonic acid CAS Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]benzenesulfonic acid IUPAC Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]benzenesulfonic acid Traditional Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]besylic acid Formula: C9H9N3O4S2 MolecularWeight: 287.31546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC2=NN=C(S2)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1OCC2=NN=C(S2)N)S(=O)(=O)O

InChI

InChI=1S/C9H9N3O4S2/c10-9-12-11-8(17-9)5-16-6-1-3-7(4-2-6)18(13,14)15/h1-4H,5H2,(H2,10,12)(H,13,14,15)