2-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoyl]benzenesulfonic acid Openeye Name: 2-[(5-thioxo-1H-1,2,4-triazol-4-yl)carbamoyl]benzenesulfonic acid CAS Name: 2-[oxo-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]benzenesulfonic acid IUPAC Name: 2-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoyl]benzenesulfonic acid Traditional Name: 2-[(5-thioxo-1H-1,2,4-triazol-4-yl)carbamoyl]besylic acid Formula: C9H8N4O4S2 MolecularWeight: 300.31422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NN2C=NNC2=S)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NN2C=NNC2=S)S(=O)(=O)O

InChI

InChI=1S/C9H8N4O4S2/c14-8(12-13-5-10-11-9(13)18)6-3-1-2-4-7(6)19(15,16)17/h1-5H,(H,11,18)(H,12,14)(H,15,16,17)