1-[(6R)-6-(5-bromanyl-2-methoxy-phenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone

Systemtic Name: 1-[(6R)-6-(5-bromanyl-2-methoxy-phenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Openeye Name: 1-[(6R)-6-(5-bromo-2-methoxy-phenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone CAS Name: 1-[(6R)-6-(5-bromo-2-methoxyphenyl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone IUPAC Name: 1-[(6R)-6-(5-bromo-2-methoxyphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Traditional Name: 1-[(6R)-6-(5-bromo-2-methoxy-phenyl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Formula: C20H17BrN4O3S MolecularWeight: 473.34298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CC(=O)N1[C@H](OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C20H17BrN4O3S/c1-11(26)25-15-7-5-4-6-13(15)17-18(22-20(29-3)24-23-17)28-19(25)14-10-12(21)8-9-16(14)27-2/h4-10,19H,1-3H3/t19-/m1/s1