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

Systemtic Name: 1-[(6R)-6-(2-methoxynaphthalen-1-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Openeye Name: 1-[(6R)-6-(2-methoxy-1-naphthyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one CAS Name: 1-[(6R)-6-(2-methoxy-1-naphthalenyl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-1-propanone IUPAC Name: 1-[(6R)-6-(2-methoxynaphthalen-1-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Traditional Name: 1-[(6R)-6-(2-methoxy-1-naphthyl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C=CC5=CC=CC=C54)OC

Isomeric SMILES

CCC(=O)N1[C@H](OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C=CC5=CC=CC=C54)OC

InChI

InChI=1S/C25H22N4O3S/c1-4-20(30)29-18-12-8-7-11-17(18)22-23(26-25(33-3)28-27-22)32-24(29)21-16-10-6-5-9-15(16)13-14-19(21)31-2/h5-14,24H,4H2,1-3H3/t24-/m1/s1