1-[6-(6-bromanyl-1,3-benzodioxol-5-yl)-3-ethylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one

Systemtic Name: 1-[6-(6-bromanyl-1,3-benzodioxol-5-yl)-3-ethylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Openeye Name: 1-[6-(6-bromo-1,3-benzodioxol-5-yl)-3-ethylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one CAS Name: 1-[6-(6-bromo-1,3-benzodioxol-5-yl)-3-(ethylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-1-propanone IUPAC Name: 1-[6-(6-bromo-1,3-benzodioxol-5-yl)-3-ethylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Traditional Name: 1-[6-(6-bromo-1,3-benzodioxol-5-yl)-3-(ethylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Formula: C22H19BrN4O4S MolecularWeight: 515.37966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN4O4S/c1-3-18(28)27-15-8-6-5-7-12(15)19-20(24-22(26-25-19)32-4-2)31-21(27)13-9-16-17(10-14(13)23)30-11-29-16/h5-10,21H,3-4,11H2,1-2H3