HMDB0259025 RDKit 3D Thiophanate-methyl 36 36 0 0 0 0 0 0 0 0999 V2000 5.4914 4.2643 -1.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3254 3.6043 -0.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1072 2.2503 -0.9186 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0501 1.5892 -1.4566 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9033 1.6258 -0.5115 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 0.2138 -0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9090 -0.5783 -1.3709 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4494 -0.3299 -0.2693 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0061 -1.6683 -0.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8589 -2.7309 -0.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3753 -4.0515 -0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -4.3026 -0.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7927 -3.2225 -0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -1.9128 -0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -0.7987 0.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5186 -0.8199 0.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2924 -2.0993 1.2229 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2705 0.4214 0.6408 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5620 0.4151 1.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0494 -0.6529 1.6547 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3213 1.5853 1.2639 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6037 1.5016 1.8379 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2910 5.1863 -1.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0935 4.5546 -0.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1216 3.5714 -1.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1646 2.2127 -0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8063 0.4162 0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9009 -2.5714 -0.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1008 -4.8352 -0.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3137 -5.2968 -0.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8308 -3.4507 0.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9049 0.1632 -0.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8243 1.2848 0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2558 2.2931 1.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0399 0.5129 1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5488 1.6554 2.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 14 9 1 0 1 23 1 0 1 24 1 0 1 25 1 0 5 26 1 0 8 27 1 0 10 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 15 32 1 0 18 33 1 0 22 34 1 0 22 35 1 0 22 36 1 0 M END