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

Systemtic Name: 1-[(6R)-6-(6-bromanyl-1,3-benzodioxol-5-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Openeye Name: 1-[(6R)-6-(6-bromo-1,3-benzodioxol-5-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone CAS Name: 1-[(6R)-6-(6-bromo-1,3-benzodioxol-5-yl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone IUPAC Name: 1-[(6R)-6-(6-bromo-1,3-benzodioxol-5-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Traditional Name: 1-[(6R)-6-(6-bromo-1,3-benzodioxol-5-yl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Formula: C20H15BrN4O4S MolecularWeight: 487.3265

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC5=C(C=C4Br)OCO5

Isomeric SMILES

CC(=O)N1[C@H](OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC5=C(C=C4Br)OCO5

InChI

InChI=1S/C20H15BrN4O4S/c1-10(26)25-14-6-4-3-5-11(14)17-18(22-20(30-2)24-23-17)29-19(25)12-7-15-16(8-13(12)21)28-9-27-15/h3-8,19H,9H2,1-2H3/t19-/m1/s1