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

Systemtic Name: 1-[(6R)-6-(4-ethoxy-3-methyl-phenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Openeye Name: 1-[(6R)-6-(4-ethoxy-3-methyl-phenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one CAS Name: 1-[(6R)-6-(4-ethoxy-3-methylphenyl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-1-propanone IUPAC Name: 1-[(6R)-6-(4-ethoxy-3-methylphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Traditional Name: 1-[(6R)-6-(4-ethoxy-3-methyl-phenyl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Formula: C23H24N4O3S MolecularWeight: 436.52666

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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(=C(C=C4)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O3S/c1-5-19(28)27-17-10-8-7-9-16(17)20-21(24-23(31-4)26-25-20)30-22(27)15-11-12-18(29-6-2)14(3)13-15/h7-13,22H,5-6H2,1-4H3/t22-/m1/s1