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

Systemtic Name: 1-[(6R)-3-methylsulfanyl-6-(3-phenylmethoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Openeye Name: 1-[(6R)-6-(3-benzyloxyphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone CAS Name: 1-[(6R)-3-(methylthio)-6-(3-phenylmethoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone IUPAC Name: 1-[(6R)-3-methylsulfanyl-6-(3-phenylmethoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Traditional Name: 1-[(6R)-6-(3-benzoxyphenyl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Formula: C26H22N4O3S MolecularWeight: 470.54288

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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=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC(=O)N1[C@H](OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C26H22N4O3S/c1-17(31)30-22-14-7-6-13-21(22)23-24(27-26(34-2)29-28-23)33-25(30)19-11-8-12-20(15-19)32-16-18-9-4-3-5-10-18/h3-15,25H,16H2,1-2H3/t25-/m1/s1