60128562 -OEChem-03292407252D 54 57 0 1 0 0 0 0 0999 V2000 4.6783 1.6708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -1.7320 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6783 0.0613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6793 -2.8101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3695 -3.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5719 -0.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5719 -3.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9519 -0.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9519 -3.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7988 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5719 -0.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7249 -0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 -3.2181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8819 -2.5981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 -1.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6419 -0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -0.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7249 -2.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 -3.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 -2.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 24 1 0 0 0 0 2 15 1 0 0 0 0 2 23 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 14 1 0 0 0 0 4 20 2 0 0 0 0 4 25 1 0 0 0 0 5 31 3 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 18 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 9 12 1 0 0 0 0 9 34 1 0 0 0 0 10 13 2 0 0 0 0 10 35 1 0 0 0 0 11 16 1 0 0 0 0 11 19 2 0 0 0 0 11 21 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 41 1 0 0 0 0 17 22 2 3 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 21 23 2 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 26 29 1 0 0 0 0 26 48 1 0 0 0 0 27 30 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 M END > 60128562 > 1 > 825 > 5 > 0 > 5 > AAADceB7IABAAAAAAAAAAAAAAAAAAWAAAAAwYIAAAAAAAFgB9AAAHgQAAAAADAzB3gQywbMIFAi0ByRiRACj+KBhKjhImDw4ZJgIpKLgsZGGMAhggADo6AcQgAAOCAAAAAAAAQAQAAAAAAACAAAAAAAAAA== > (2E)-2-(1,3-benzothiazol-2-yl)-2-[2-[2-[4-[ethyl(methyl)amino]phenyl]vinyl]-6-methyl-pyran-4-ylidene]acetonitrile > (2E)-2-(1,3-benzothiazol-2-yl)-2-[2-[2-[4-[ethyl(methyl)amino]phenyl]ethenyl]-6-methyl-4-pyranylidene]acetonitrile > (2E)-2-(1,3-benzothiazol-2-yl)-2-[2-[2-[4-[ethyl(methyl)amino]phenyl]ethenyl]-6-methylpyran-4-ylidene]acetonitrile > (2E)-2-(1,3-benzothiazol-2-yl)-2-[2-[2-[4-[ethyl(methyl)amino]phenyl]ethenyl]-6-methylpyran-4-ylidene]acetonitrile > (2E)-2-(1,3-benzothiazol-2-yl)-2-[2-[2-[4-[ethyl(methyl)amino]phenyl]ethenyl]-6-methyl-pyran-4-ylidene]ethanenitrile > (2E)-2-(1,3-benzothiazol-2-yl)-2-[2-[2-[4-[ethyl(methyl)amino]phenyl]vinyl]-6-methyl-pyran-4-ylidene]acetonitrile > InChI=1S/C26H23N3OS/c1-4-29(3)21-12-9-19(10-13-21)11-14-22-16-20(15-18(2)30-22)23(17-27)26-28-24-7-5-6-8-25(24)31-26/h5-16H,4H2,1-3H3/b14-11?,23-20+ > HZDVKYAQCMXOHG-UKEIRTNJSA-N > 5.9 > 425.15618354 > C26H23N3OS > 425.5 > CCN(C)C1=CC=C(C=C1)C=CC2=CC(=C(C#N)C3=NC4=CC=CC=C4S3)C=C(O2)C > CCN(C)C1=CC=C(C=C1)C=CC2=C/C(=C(\C#N)/C3=NC4=CC=CC=C4S3)/C=C(O2)C > 77.4 > 425.15618354 > 0 > 31 > 0 > 0 > 1 > 1 > 0 > 1 > -1 > 1 5 255 > 1 20 8 1 24 8 10 13 8 17 22 1 24 25 8 24 26 8 25 27 8 26 29 8 27 30 8 29 30 8 4 20 8 4 25 8 6 10 8 6 9 8 8 12 8 8 13 8 9 12 8 $$$$