Ketcher 01132314182D 1 1.00000 0.00000 0 32 35 0 0 0 999 V2000 18.8537 10.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7271 9.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7271 8.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8537 8.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9804 8.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9804 9.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1070 10.3118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3939 9.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1070 11.3203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3939 8.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6433 11.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5166 10.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5166 9.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6433 9.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7699 9.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7699 10.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8966 9.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0231 9.8832 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.1498 9.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0444 8.3760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0579 8.1662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5536 9.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2285 9.7891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2285 10.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9416 11.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6803 9.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1095 9.1134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6994 8.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4488 7.5173 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3222 8.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1125 9.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8259 7.6879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 8 10 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 11 2 0 0 0 13 8 1 0 0 0 15 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 19 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 22 26 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 31 27 1 0 0 0 31 26 1 0 0 0 28 32 1 0 0 0 M END > CHEBI:194236 > 9m > DERIVATIVE 13 > 2 > C22H22N6OS2 > 450.580 > 450.12965 > 0 > C=1C=CC=CC1N(C(=O)C2=CC=CC(=C2)CSC3=NN=C(N3CC)CC4=CSC(=N4)N)[H] > InChI=1S/C22H22N6OS2/c1-2-28-19(12-18-14-30-21(23)25-18)26-27-22(28)31-13-15-7-6-8-16(11-15)20(29)24-17-9-4-3-5-10-17/h3-11,14H,2,12-13H2,1H3,(H2,23,25)(H,24,29) > OVGOJXYEFKRFLZ-UHFFFAOYSA-N $$$$