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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

Systemtic Name:[4-bromanyl-3-[7-ethanoyl-3-(phenylmethylsulfanyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl] ethanoate
Openeye Name:[3-(7-acetyl-3-benzylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-bromo-phenyl] acetate
CAS Name:acetic acid [3-[7-acetyl-3-(phenylmethylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromophenyl] ester
IUPAC Name:[3-(7-acetyl-3-benzylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-bromophenyl] acetate
Traditional Name:acetic acid [3-[7-acetyl-3-(benzylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromo-phenyl] ester
Formula: C27H21BrN4O4S
MolecularWeight: 577.44904
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Descriptors Computed from Structure

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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