4-[(6R)-10-bromanyl-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[(6R)-10-bromanyl-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxy-phenol Openeye Name: 4-[(6R)-10-bromo-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxy-phenol CAS Name: 4-[(6R)-10-bromo-3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenol IUPAC Name: 4-[(6R)-10-bromo-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenol Traditional Name: 4-[(6R)-10-bromo-3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxy-phenol Formula: C19H17BrN4O4S MolecularWeight: 477.33168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C2NC3=C(C=C(C=C3)Br)C4=C(O2)N=C(N=N4)SC

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)[C@@H]2NC3=C(C=C(C=C3)Br)C4=C(O2)N=C(N=N4)SC

InChI

InChI=1S/C19H17BrN4O4S/c1-26-13-6-9(7-14(27-2)16(13)25)17-21-12-5-4-10(20)8-11(12)15-18(28-17)22-19(29-3)24-23-15/h4-8,17,21,25H,1-3H3/t17-/m1/s1