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

Systemtic Name: 1-[(6R)-6-ethyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Openeye Name: 1-[(6R)-6-ethyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one CAS Name: 1-[(6R)-6-ethyl-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-1-propanone IUPAC Name: 1-[(6R)-6-ethyl-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Traditional Name: 1-[(6R)-6-ethyl-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CCC1N(C2=CC=CC=C2C3=C(O1)N=C(N=N3)SC)C(=O)CC

Isomeric SMILES

CC[C@@H]1N(C2=CC=CC=C2C3=C(O1)N=C(N=N3)SC)C(=O)CC

InChI

InChI=1S/C16H18N4O2S/c1-4-12(21)20-11-9-7-6-8-10(11)14-15(22-13(20)5-2)17-16(23-3)19-18-14/h6-9,13H,4-5H2,1-3H3/t13-/m1/s1