2317686 -OEChem-05211312572D 68 72 0 0 0 0 0 0 0999 V2000 5.6069 4.0601 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5317 -0.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5754 0.4018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 -3.4051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6069 2.4506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1905 4.9874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5972 0.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9881 0.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8541 -0.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1960 1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1905 1.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2445 1.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8844 -0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2227 0.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8626 -0.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9586 -1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6905 2.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1496 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1905 3.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2541 -2.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2361 -1.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5316 -2.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4451 -3.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4271 -1.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1905 3.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 -4.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -2.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6905 4.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 -4.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6607 3.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6607 2.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7947 4.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7947 2.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9286 3.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9286 2.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3984 0.6322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7359 -0.1258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1960 2.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5794 1.4836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2704 -0.6355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8628 -1.1689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4768 1.7198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7187 1.4735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6303 -1.3320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3883 -1.0857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8366 1.0233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2443 1.5567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 -1.3061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3105 2.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8205 -2.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1713 -0.6184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5099 -3.8406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8606 -1.5706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0989 -4.9568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4231 -4.2287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1557 -2.4843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -2.5676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 -4.4858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5165 -5.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 -3.0845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -3.9505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -4.0877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3825 -5.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7947 4.8753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7947 1.6353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 4.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 2.4453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 31 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 7 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 22 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 25 2 0 0 0 0 5 32 1 0 0 0 0 6 28 3 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 18 1 0 0 0 0 16 49 1 0 0 0 0 17 19 2 0 0 0 0 17 50 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 25 1 0 0 0 0 19 28 1 0 0 0 0 20 23 1 0 0 0 0 20 51 1 0 0 0 0 21 24 2 0 0 0 0 21 52 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 26 30 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 29 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 64 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 32 34 2 0 0 0 0 33 35 1 0 0 0 0 33 65 1 0 0 0 0 34 36 1 0 0 0 0 34 66 1 0 0 0 0 35 36 2 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 M END > 2317686 > 1 > 899 > 6 > 0 > 7 > AAADcfB7oABAAAAAAAAAAAAAAAAAAWIAAAA8YIAAAAAAAFgB9AAAHgQAAAAADAjh3gYywbMIFAi0ByRiRACj8KBhCjhImDw4ZJgKoKLgkZGHIAhggAD4yAcQgAAOCAAAAAAAAQAQAAAAAAACAAAAAAAAAA== > (Z)-2-(1,3-benzothiazol-2-yl)-3-[(3E)-3-[[4-(diethylamino)phenyl]methylene]-2-morpholino-cyclopenten-1-yl]prop-2-enenitrile > (Z)-2-(1,3-benzothiazol-2-yl)-3-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-(4-morpholinyl)-1-cyclopentenyl]-2-propenenitrile > (Z)-2-(1,3-benzothiazol-2-yl)-3-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]prop-2-enenitrile > (Z)-2-(1,3-benzothiazol-2-yl)-3-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-cyclopenten-1-yl]prop-2-enenitrile > (Z)-2-(1,3-benzothiazol-2-yl)-3-[(3E)-3-[4-(diethylamino)benzylidene]-2-morpholino-cyclopenten-1-yl]acrylonitrile > InChI=1S/C30H32N4OS/c1-3-33(4-2)26-13-9-22(10-14-26)19-23-11-12-24(29(23)34-15-17-35-18-16-34)20-25(21-31)30-32-27-7-5-6-8-28(27)36-30/h5-10,13-14,19-20H,3-4,11-12,15-18H2,1-2H3/b23-19+,25-20- > ZTJOUKDDAYRXCL-TZZJZTKFSA-N > 5.4 > 496.229683 > C30H32N4OS > 496.66628 > CCN(CC)C1=CC=C(C=C1)C=C2CCC(=C2N3CCOCC3)C=C(C#N)C4=NC5=CC=CC=C5S4 > CCN(CC)C1=CC=C(C=C1)/C=C/2\CCC(=C2N3CCOCC3)/C=C(/C#N)\C4=NC5=CC=CC=C5S4 > 80.6 > 496.229683 > 0 > 36 > 0 > 0 > 2 > 0 > 0 > 1 > 1 > 1 5 255 > 1 25 8 1 31 8 18 20 8 18 21 8 20 23 8 21 24 8 22 23 8 22 24 8 31 32 8 31 33 8 32 34 8 33 35 8 34 36 8 35 36 8 5 25 8 5 32 8 $$$$