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6-[2-[(3-bromophenyl)methoxy]phenyl]-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[2-[(3-bromophenyl)methoxy]phenyl]-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
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Canonical SMILES:
CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC=C4OCC5=CC(=CC=C5)Br)N=N1
Isomeric SMILES
CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC=C4OCC5=CC(=CC=C5)Br)N=N1
InChI
InChI=1S/C25H21BrN4O2S/c1-2-33-25-28-24-22(29-30-25)18-10-3-5-12-20(18)27-23(32-24)19-11-4-6-13-21(19)31-15-16-8-7-9-17(26)14-16/h3-14,23,27H,2,15H2,1H3
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- 3-ethylsulfanyl-6-pyridin-1-ium-2-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine