1-[6-(2-methoxyphenyl)-3-pentylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone

Systemtic Name: 1-[6-(2-methoxyphenyl)-3-pentylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Openeye Name: 1-[6-(2-methoxyphenyl)-3-pentylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone CAS Name: 1-[6-(2-methoxyphenyl)-3-(pentylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone IUPAC Name: 1-[6-(2-methoxyphenyl)-3-pentylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Traditional Name: 1-[3-(amylthio)-6-(2-methoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CC=C4OC)C(=O)C)N=N1

Isomeric SMILES

CCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CC=C4OC)C(=O)C)N=N1

InChI

InChI=1S/C24H26N4O3S/c1-4-5-10-15-32-24-25-22-21(26-27-24)17-11-6-8-13-19(17)28(16(2)29)23(31-22)18-12-7-9-14-20(18)30-3/h6-9,11-14,23H,4-5,10,15H2,1-3H3