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

Systemtic Name: 3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonic acid Openeye Name: 3-(5-thioxo-1H-1,2,4-triazol-4-yl)benzenesulfonic acid CAS Name: 3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonic acid IUPAC Name: 3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonic acid Traditional Name: 3-(5-thioxo-1H-1,2,4-triazol-4-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)N2C=NNC2=S

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)N2C=NNC2=S

InChI

InChI=1S/C8H7N3O3S2/c12-16(13,14)7-3-1-2-6(4-7)11-5-9-10-8(11)15/h1-5H,(H,10,15)(H,12,13,14)