CDK 0521202331 44 50 0 0 0 0 0 0 0 0999 V2000 0.7125 -5.2750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -2.9083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 -4.7458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0125 -7.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6708 -2.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6833 -7.8333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -4.0750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4333 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3500 -7.8417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -0.9333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 -6.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4333 -8.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8708 -1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2083 -0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3833 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7208 -6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -4.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1583 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8458 -9.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2042 -9.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1583 -0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -4.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5542 -1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6167 -10.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -10.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 26 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 21 1 0 0 0 0 7 20 1 0 0 0 0 8 6 2 0 0 0 0 9 7 2 0 0 0 0 10 2 1 0 0 0 0 11 5 1 0 0 0 0 12 3 1 0 0 0 0 13 4 1 0 0 0 0 14 7 1 0 0 0 0 15 6 1 0 0 0 0 16 10 2 0 0 0 0 17 12 1 0 0 0 0 18 10 1 0 0 0 0 19 11 1 0 0 0 0 20 19 2 0 0 0 0 21 18 2 0 0 0 0 22 8 1 0 0 0 0 23 9 1 0 0 0 0 24 15 1 0 0 0 0 25 14 1 0 0 0 0 26 28 1 0 0 0 0 27 4 1 0 0 0 0 27 28 2 0 0 0 0 29 16 1 0 0 0 0 30 17 1 0 0 0 0 31 29 2 0 0 0 0 32 30 2 0 0 0 0 33 2 1 0 0 0 0 34 5 1 0 0 0 0 35 22 2 0 0 0 0 36 23 1 0 0 0 0 37 25 1 0 0 0 0 38 24 2 0 0 0 0 39 33 1 0 0 0 0 40 34 1 0 0 0 0 41 38 1 0 0 0 0 42 37 2 0 0 0 0 43 36 2 0 0 0 0 44 35 1 0 0 0 0 16 13 1 0 0 0 0 21 31 1 0 0 0 0 22 24 1 0 0 0 0 11 17 2 0 0 0 0 44 41 2 0 0 0 0 32 20 1 0 0 0 0 25 23 2 0 0 0 0 43 42 1 0 0 0 0 M CHG 1 1 -1 M CHG 1 2 1 M END > CHEBI:149989 > (2E)-5-(1,3-Benzothiazol-2-yl)-2-[(E)-3-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;chloride > 2 > C35H27N4S4.Cl > 667.320 > 666.08071 > 0 > [Cl-].[N+]1(=C(SC2=C1C=C(C3=NC4=CC=CC=C4S3)C=C2)/C=C/C=C/5\N(C=6C=C(C7=NC=8C=CC=CC8S7)C=CC6S5)CC)CC > InChI=1S/C35H27N4S4.ClH/c1-3-38-26-20-22(34-36-24-10-5-7-12-28(24)42-34)16-18-30(26)40-32(38)14-9-15-33-39(4-2)27-21-23(17-19-31(27)41-33)35-37-25-11-6-8-13-29(25)43-35;/h5-21H,3-4H2,1-2H3;1H/q+1;/p-1 > DVORXDHTUKEABE-UHFFFAOYSA-M $$$$