1-[(6R)-6-(5-chloranyl-2,3-dimethoxy-phenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one

Systemtic Name: 1-[(6R)-6-(5-chloranyl-2,3-dimethoxy-phenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Openeye Name: 1-[(6R)-6-(5-chloro-2,3-dimethoxy-phenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one CAS Name: 1-[(6R)-6-(5-chloro-2,3-dimethoxyphenyl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-1-propanone IUPAC Name: 1-[(6R)-6-(5-chloro-2,3-dimethoxyphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Traditional Name: 1-[(6R)-6-(5-chloro-2,3-dimethoxy-phenyl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Formula: C22H21ClN4O4S MolecularWeight: 472.94454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=O)N1[C@H](OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=CC(=C4OC)OC)Cl

InChI

InChI=1S/C22H21ClN4O4S/c1-5-17(28)27-15-9-7-6-8-13(15)18-20(24-22(32-4)26-25-18)31-21(27)14-10-12(23)11-16(29-2)19(14)30-3/h6-11,21H,5H2,1-4H3/t21-/m1/s1