5474789 -OEChem-03282419402D 46 49 0 0 0 0 0 0 0999 V2000 7.8568 -1.4862 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.3490 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2506 -0.6814 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6783 1.9584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4598 -1.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9184 0.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 2.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5938 -2.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3258 -2.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5938 -3.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8970 -0.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 3.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3258 -3.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4598 -3.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1497 0.6381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3921 0.3905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 2.6169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 3.3968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 0.8246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8628 -1.8432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 1.6906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0569 -3.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7691 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5036 -0.2712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0248 0.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -0.2493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 4.0673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 4.1147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8596 3.2392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8628 -3.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.9637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4598 -4.2732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 5 1 0 0 0 0 3 7 2 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 2 0 0 0 0 6 12 1 0 0 0 0 6 16 2 0 0 0 0 7 13 1 0 0 0 0 8 15 2 0 0 0 0 9 19 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 21 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 17 2 0 0 0 0 12 18 2 0 0 0 0 13 20 2 0 0 0 0 13 30 1 0 0 0 0 14 22 1 0 0 0 0 14 31 1 0 0 0 0 15 20 1 0 0 0 0 15 32 1 0 0 0 0 16 23 1 0 0 0 0 16 33 1 0 0 0 0 17 24 1 0 0 0 0 17 34 1 0 0 0 0 18 25 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 24 2 0 0 0 0 22 43 1 0 0 0 0 23 25 2 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 M CHG 1 3 1 M END > 5474789 > 1 > 474 > 3 > 0 > 4 > AAADceB7AABgAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAFgB9AAAHAQAAAAACAjBVgQywbMMEAikASRiRACD8KBhCjhI2Dw4ZJgIIKLgkZGEIAhggADoyAcQAAAAAAAAAAAAAQAAAAAAAAACAAAAAAAAAA== > (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole > (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole > (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole > (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole > (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole > (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole > InChI=1S/C21H21N2S2/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21/h5-15H,3-4H2,1-2H3/q+1 > JGLWGLKNDHZFAP-UHFFFAOYSA-N > 6.3 > 365.11461603 > C21H21N2S2+ > 365.5 > CCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CC > CCN\1C2=CC=CC=C2S/C1=C\C=C\C3=[N+](C4=CC=CC=C4S3)CC > 60.7 > 365.11461603 > 1 > 25 > 0 > 0 > 2 > 0 > 0 > 1 > 1 > 1 5 255 > 1 11 8 1 7 8 11 17 8 12 18 8 14 22 8 16 23 8 17 24 8 18 25 8 22 24 8 23 25 8 3 5 8 3 7 8 5 11 8 5 14 8 6 12 8 6 16 8 $$$$