1-[6-(3-ethoxy-2-methoxy-phenyl)-3-prop-2-enylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one

Systemtic Name: 1-[6-(3-ethoxy-2-methoxy-phenyl)-3-prop-2-enylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Openeye Name: 1-[3-allylsulfanyl-6-(3-ethoxy-2-methoxy-phenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one CAS Name: 1-[6-(3-ethoxy-2-methoxyphenyl)-3-(prop-2-enylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-1-propanone IUPAC Name: 1-[6-(3-ethoxy-2-methoxyphenyl)-3-prop-2-enylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Traditional Name: 1-[3-(allylthio)-6-(3-ethoxy-2-methoxy-phenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=C(C(=CC=C4)OCC)OC

Isomeric SMILES

CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=C(C(=CC=C4)OCC)OC

InChI

InChI=1S/C25H26N4O4S/c1-5-15-34-25-26-23-21(27-28-25)16-11-8-9-13-18(16)29(20(30)6-2)24(33-23)17-12-10-14-19(32-7-3)22(17)31-4/h5,8-14,24H,1,6-7,15H2,2-4H3