InChI:InChI=1S/2C20H19N3.H2O4S/c2*1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;1-5(2,3)4/h2*2-12,21H,22-23H2,1H3;(H2,1,2,3,4)/b2*20-14-,21-17?;

InChIKey: NBCSTKUEMGQHFO-UKIGXBMUSA-N

Smiles:C(=C1/C=CC(=N)C=C/1)(/C1C=CC(N)=CC=1)\C1=CC=C(N)C(C)=C1.C(=C1/C=CC(=N)C=C/1)(/C1=CC=C(N)C=C1)\C1=CC=C(N)C(C)=C1.S(=O)(=O)(O)O