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

Systemtic Name: 1-[(6R)-6-ethyl-3-prop-2-enylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Openeye Name: 1-[(6R)-3-allylsulfanyl-6-ethyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone CAS Name: 1-[(6R)-6-ethyl-3-(prop-2-enylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone IUPAC Name: 1-[(6R)-6-ethyl-3-prop-2-enylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Traditional Name: 1-[(6R)-3-(allylthio)-6-ethyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O2S/c1-4-10-24-17-18-16-15(19-20-17)12-8-6-7-9-13(12)21(11(3)22)14(5-2)23-16/h4,6-9,14H,1,5,10H2,2-3H3/t14-/m1/s1