4-[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]benzenesulfonic acid

Systemtic Name: 4-[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]benzenesulfonic acid Openeye Name: 4-[(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]benzenesulfonic acid CAS Name: 4-[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]benzenesulfonic acid IUPAC Name: 4-[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]benzenesulfonic acid Traditional Name: 4-[(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]besylic acid Formula: C9H10N4O3S2 MolecularWeight: 286.3307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC1=NNC(=S)N1NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C9H10N4O3S2/c1-6-10-11-9(17)13(6)12-7-2-4-8(5-3-7)18(14,15)16/h2-5,12H,1H3,(H,11,17)(H,14,15,16)