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

Systemtic Name: 1-[6-(5-bromanyl-2,3-dimethoxy-phenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Openeye Name: 1-[6-(5-bromo-2,3-dimethoxy-phenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone CAS Name: 1-[6-(5-bromo-2,3-dimethoxyphenyl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone IUPAC Name: 1-[6-(5-bromo-2,3-dimethoxyphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Traditional Name: 1-[6-(5-bromo-2,3-dimethoxy-phenyl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Formula: C21H19BrN4O4S MolecularWeight: 503.36896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=CC(=C4OC)OC)Br

Isomeric SMILES

CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=CC(=C4OC)OC)Br

InChI

InChI=1S/C21H19BrN4O4S/c1-11(27)26-15-8-6-5-7-13(15)17-19(23-21(31-4)25-24-17)30-20(26)14-9-12(22)10-16(28-2)18(14)29-3/h5-10,20H,1-4H3