8447 -OEChem-07031819103D 28 31 0 0 0 0 0 0 0999 V2000 1.7014 -0.1662 1.6213 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -0.1466 -1.6330 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4175 2.4964 0.9454 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4262 2.5120 -0.9391 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5924 1.4333 -0.1952 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5911 1.4326 0.2055 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1078 -0.6561 0.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1084 -0.6482 -0.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4359 0.3319 -0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4323 0.3296 0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8661 -1.8302 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8651 -1.8226 -0.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5634 0.1355 -1.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5537 0.1225 1.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6512 1.2780 0.7063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6681 1.2761 -0.7015 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9770 -1.9998 0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 -2.0030 -0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3228 -1.0309 -0.8788 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3115 -1.0443 0.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -2.5908 1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6043 -2.5754 -1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8425 0.8858 -1.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8294 0.8648 1.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5775 -2.9015 0.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5691 -2.9050 -0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1902 -1.1802 -1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1742 -1.2018 1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 15 1 0 0 0 0 2 8 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 5 9 1 0 0 0 0 5 15 2 0 0 0 0 6 10 1 0 0 0 0 6 16 2 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 11 17 1 0 0 0 0 11 21 1 0 0 0 0 12 18 1 0 0 0 0 12 22 1 0 0 0 0 13 19 1 0 0 0 0 13 23 1 0 0 0 0 14 20 1 0 0 0 0 14 24 1 0 0 0 0 17 19 2 0 0 0 0 17 25 1 0 0 0 0 18 20 2 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 M END > DB14201 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AFZSMODLJJCVPP-UHFFFAOYSA-N/SDF?record_type=3d > S(SC1=NC2=CC=CC=C2S1)C1=NC2=CC=CC=C2S1 > InChI=1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H > AFZSMODLJJCVPP-UHFFFAOYSA-N > C14H8N2S4 > 332.47 > 331.957032962 > 2 > 28 > 32.93695291605077 > 1 > 0 > 0 > 0 > 2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole > 4.72 > 6.2226968593333325 > -4.45 > 0 > 4 > 0 > 0.7715640773426803 > 25.78 > 83.54820000000002 > 3 > 0 > 1.17e-02 g/l > altax > 1 $$$$