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

Systemtic Name: 1-[(6R)-6-(2-butoxyphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Openeye Name: 1-[(6R)-6-(2-butoxyphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone CAS Name: 1-[(6R)-6-(2-butoxyphenyl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone IUPAC Name: 1-[(6R)-6-(2-butoxyphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Traditional Name: 1-[(6R)-6-(2-butoxyphenyl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C

Isomeric SMILES

CCCCOC1=CC=CC=C1[C@@H]2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C

InChI

InChI=1S/C23H24N4O3S/c1-4-5-14-29-19-13-9-7-11-17(19)22-27(15(2)28)18-12-8-6-10-16(18)20-21(30-22)24-23(31-3)26-25-20/h6-13,22H,4-5,14H2,1-3H3/t22-/m1/s1