-ISIS- 08091621332D 17 18 0 0 0 0 0 0 0 0999 V2000 1.6917 0.0500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8792 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 1.5833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 1.5833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0667 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -0.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 0.3208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9667 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2792 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2167 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5042 1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9208 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4583 1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 7 1 0 0 0 0 9 1 1 0 0 0 0 10 3 1 0 0 0 0 11 13 1 0 0 0 0 12 6 1 0 0 0 0 13 12 2 0 0 0 0 14 8 1 0 0 0 0 15 11 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 5 4 1 0 0 0 0 8 11 2 0 0 0 0 M END > (BBL000564) BBL000564 > (BBL000564) 4 > (BBL000564) 2.465 > (BBL000564) 113.99 > (BBL000564) 2 > (BBL000564) 2 > (BBL000564) 2 > (BBL000564) 4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol > (BBL000564) 252.30 > (BBL000564) C10H12N4O2S > (BBL000564) COc1cc(ccc1OC)c1nnc(n1N)S > (BBL000564) 125866-62-8 > (BBL000564) MFCD01166530 $$$$