3-[[2-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl]benzenesulfonic acid

Systemtic Name: 3-[[2-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl]benzenesulfonic acid Openeye Name: 3-[[2-(5-thioxo-2H-tetrazol-1-yl)phenyl]carbamoyl]benzenesulfonic acid CAS Name: 3-[oxo-[2-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]methyl]benzenesulfonic acid IUPAC Name: 3-[[2-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]carbamoyl]benzenesulfonic acid Traditional Name: 3-[[2-(5-thioxo-2H-tetrazol-1-yl)phenyl]carbamoyl]besylic acid Formula: C14H11N5O4S2 MolecularWeight: 377.39824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)O)N3C(=S)N=NN3

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)O)N3C(=S)N=NN3

InChI

InChI=1S/C14H11N5O4S2/c20-13(9-4-3-5-10(8-9)25(21,22)23)15-11-6-1-2-7-12(11)19-14(24)16-17-18-19/h1-8H,(H,15,20)(H,16,18,24)(H,21,22,23)