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

Systemtic Name: 1-[(6R)-6-[4-(diethylamino)-2-methoxy-phenyl]-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Openeye Name: 1-[(6R)-6-[4-(diethylamino)-2-methoxy-phenyl]-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone CAS Name: 1-[(6R)-6-[4-(diethylamino)-2-methoxyphenyl]-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone IUPAC Name: 1-[(6R)-6-[4-(diethylamino)-2-methoxyphenyl]-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Traditional Name: 1-[(6R)-6-[4-(diethylamino)-2-methoxy-phenyl]-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Formula: C24H27N5O3S MolecularWeight: 465.56788

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C)OC

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)[C@@H]2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C)OC

InChI

InChI=1S/C24H27N5O3S/c1-6-28(7-2)16-12-13-18(20(14-16)31-4)23-29(15(3)30)19-11-9-8-10-17(19)21-22(32-23)25-24(33-5)27-26-21/h8-14,23H,6-7H2,1-5H3/t23-/m1/s1