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

Systemtic Name: azanium 4-[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]benzenesulfonate Openeye Name: ammonium 4-[(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]benzenesulfonate CAS Name: ammonium 4-[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]benzenesulfonate IUPAC Name: azanium 4-[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]benzenesulfonate Traditional Name: ammonium 4-[(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]besylate Formula: C9H13N5O3S2 MolecularWeight: 303.36122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1NC2=CC=C(C=C2)S(=O)(=O)[O-].[NH4+]

Isomeric SMILES

CC1=NNC(=S)N1NC2=CC=C(C=C2)S(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C9H10N4O3S2.H3N/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);1H3