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

Systemtic Name: 1-[3-(7-ethanoyl-3-prop-2-enylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)indol-1-yl]ethanone Openeye Name: 1-[3-(7-acetyl-3-allylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)indol-1-yl]ethanone CAS Name: 1-[3-[7-acetyl-3-(prop-2-enylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-1-indolyl]ethanone IUPAC Name: 1-[3-(7-acetyl-3-prop-2-enylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)indol-1-yl]ethanone Traditional Name: 1-[3-[7-acetyl-3-(allylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]indol-1-yl]ethanone Formula: C25H21N5O3S MolecularWeight: 471.53094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)C3N(C4=CC=CC=C4C5=C(O3)N=C(N=N5)SCC=C)C(=O)C

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)C3N(C4=CC=CC=C4C5=C(O3)N=C(N=N5)SCC=C)C(=O)C

InChI

InChI=1S/C25H21N5O3S/c1-4-13-34-25-26-23-22(27-28-25)18-10-6-8-12-21(18)30(16(3)32)24(33-23)19-14-29(15(2)31)20-11-7-5-9-17(19)20/h4-12,14,24H,1,13H2,2-3H3