Mrv0541 11111412082D 28 30 0 0 0 0 999 V2000 -2.9384 1.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9384 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2371 0.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4946 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4946 1.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2371 2.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6809 2.0365 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2371 -0.4385 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7934 0.3865 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0509 0.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6504 0.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7934 -0.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0921 -0.8510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1554 -1.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9804 -1.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2691 -0.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6091 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3516 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0116 0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6716 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3829 1.5827 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5579 1.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0116 -0.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7541 -0.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4554 -0.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4554 0.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1979 0.8815 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1783 -2.2385 0.0000 H 0 3 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 9 10 1 6 0 0 0 10 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 13 17 1 0 0 0 0 11 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 18 22 2 0 0 0 0 19 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 20 26 2 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 28 1 M END > CHEBI:83698 > (S)-sertaconazole(1+) > An organic cation obtained by protonation of the imidazole group of (S)-sertaconazole > 3 > (S)-sertaconazole cation > C20H16Cl3N2OS > 438.77700 > 437.00434 > 1 > [H+].Clc1ccc([C@@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1 > InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/p+1/t19-/m1/s1 > JLGKQTAYUIMGRK-LJQANCHMSA-O $$$$