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

Systemtic Name: 1-[(6R)-6-(5-methylthiophen-2-yl)-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-(5-methyl-2-thienyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone CAS Name: 1-[(6R)-6-(5-methyl-2-thiophenyl)-3-(prop-2-enylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone IUPAC Name: 1-[(6R)-6-(5-methylthiophen-2-yl)-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-(5-methyl-2-thienyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Formula: C20H18N4O2S2 MolecularWeight: 410.51252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C)C(=O)C

Isomeric SMILES

CC1=CC=C(S1)[C@@H]2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C)C(=O)C

InChI

InChI=1S/C20H18N4O2S2/c1-4-11-27-20-21-18-17(22-23-20)14-7-5-6-8-15(14)24(13(3)25)19(26-18)16-10-9-12(2)28-16/h4-10,19H,1,11H2,2-3H3/t19-/m1/s1