52643217 -OEChem-03282421302D 32 35 0 0 0 0 0 0 0999 V2000 4.9718 -0.7387 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6192 -0.9453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6192 -2.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1671 0.6551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9409 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6730 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6730 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9409 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2028 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0749 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9409 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9409 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9409 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3439 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6636 -2.1647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6636 -1.3353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -2.3509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 0.4550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -2.3509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -0.9479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 4 14 1 0 0 0 0 4 15 2 0 0 0 0 5 22 3 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 16 2 0 0 0 0 9 23 1 0 0 0 0 10 17 2 0 0 0 0 10 24 1 0 0 0 0 11 17 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 19 2 0 0 0 0 15 16 1 0 0 0 0 16 22 1 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 M END > 52643217 > 1 > 500 > 5 > 0 > 2 > AAADccB7MABAAAAAAAAAAAAAAAAAAWJAAAAwYAAAAAAAAFgB9AAAHgQAAAAADAyB3gMwz7IIFAi0ByRiRACj+KBhKjhImDw27JgdpqLksZukMCpkwBHu6AeQwDAOAAABAAAIQQAAAAIAABCCAAAAAAAAAA== > (Z)-3-(1,3-benzodioxol-4-yl)-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile > (Z)-3-(1,3-benzodioxol-4-yl)-2-(1,3-benzothiazol-2-yl)-2-propenenitrile > (Z)-3-(1,3-benzodioxol-4-yl)-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile > (Z)-3-(1,3-benzodioxol-4-yl)-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile > (Z)-3-(1,3-benzodioxol-4-yl)-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile > (Z)-3-(1,3-benzodioxol-4-yl)-2-(1,3-benzothiazol-2-yl)acrylonitrile > InChI=1S/C17H10N2O2S/c18-9-12(17-19-13-5-1-2-7-15(13)22-17)8-11-4-3-6-14-16(11)21-10-20-14/h1-8H,10H2/b12-8- > YHTKZYATDPXAFB-WQLSENKSSA-N > 4 > 306.04629874 > C17H10N2O2S > 306.3 > C1OC2=CC=CC(=C2O1)C=C(C#N)C3=NC4=CC=CC=C4S3 > C1OC2=CC=CC(=C2O1)/C=C(/C#N)\C3=NC4=CC=CC=C4S3 > 83.4 > 306.04629874 > 0 > 22 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 1 13 8 1 15 8 10 17 8 11 17 8 13 14 8 13 18 8 14 19 8 18 20 8 19 21 8 20 21 8 4 14 8 4 15 8 6 7 8 6 8 8 7 10 8 8 11 8 $$$$