RInChI=1.00.1S/C21H19BrFN5O2/c1-26-18(29)11-27(21(26)30)10-14-5-4-13(8-16(14)23)15-6-7-17-20(19(15)22)24-25-28(17)9-12-2-3-12/h4-8,12H,2-3,9-11H2,1H3!CH4S.Na/c1-2;/h2H,1H3;/q;+1/p-1<>C22H22FN5O2S/c1-26-19(29)12-27(22(26)30)11-15-6-5-14(9-17(15)23)16-7-8-18-20(21(16)31-2)24-25-28(18)10-13-3-4-13/h5-9,13H,3-4,10-12H2,1-2H3<>C3H7NO/c1-4(2)3-5/h3H,1-2H3!CH2Cl2/c2-1-3/h1H2/d+
RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30/E:(2,3)/rA:30CCCCCCCCCCCCCCCCCCCCCBrFNNNNNOO/rB:;s2;;d4;;d6;;;;;s2s3s9;s4d8;s5s10;s6s13;s8d14;s7;s11;d15;d17s19;;s19;s16;s20;d24;s1s18s21;s10s11s21;s9s17s25;d18;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!1/N:1,2;3/rA:3CS-Na+/rB:s1;;/rC:;;;<>0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31/E:(3,4)/rA:31CCCCCCCCCCCCCCCCCCCCCCFNNNNNOOS/rB:;;s3;;d5;;d7;;;;;s3s4s10;s5d9;s6s11;s7s14;s9d15;s8;s12;d18;d16s20;;s17;s20;d24;s1s19s22;s11s12s22;s10s18s25;d19;d22;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5/E:(1,2)/rA:5CCCNO/rB:;;s1s2s3;d3;/rC:;;;;;!0/N:1,2,3/E:(2,3)/rA:3CClCl/rB:s1;s1;/rC:;;;
Long-RInChIKey=SA-FUHFF-LZAPWEFAARJVLC-UHFFFAOYSA-N-RMBAVIFYHOYIFM-UHFFFAOYSA-M--BDOPCLBESMMTBI-UHFFFAOYSA-N--ZMXDDKWLCZADIW-UHFFFAOYSA-N-YMWUJEATGCHHMB-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-MJEGHESXPV-BDOPCLBESM-SFMZUQYMRX-MUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=UZPFVZQBRFCRJXJCL-MUHFFFADPSCTJSA