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[4-bromanyl-3-[7-ethanoyl-3-(phenylmethylsulfanyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl] ethanoate
[4-bromanyl-3-[7-ethanoyl-3-(phenylmethylsulfanyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl] ethanoate
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Canonical SMILES:
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC4=CC=CC=C4)C5=C(C=CC(=C5)OC(=O)C)Br
Isomeric SMILES
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC4=CC=CC=C4)C5=C(C=CC(=C5)OC(=O)C)Br
InChI
InChI=1S/C27H21BrN4O4S/c1-16(33)32-23-11-7-6-10-20(23)24-25(29-27(31-30-24)37-15-18-8-4-3-5-9-18)36-26(32)21-14-19(35-17(2)34)12-13-22(21)28/h3-14,26H,15H2,1-2H3
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