9-(4-methylphenyl)sulfanyl-7-phenoxy-5H-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 9-(4-methylphenyl)sulfanyl-7-phenoxy-5H-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 7-phenoxy-9-(p-tolylsulfanyl)-5H-benzo[b][1,4]benzoxazepin-6-one CAS Name: 9-[(4-methylphenyl)thio]-7-phenoxy-5H-benzo[b][1,4]benzoxazepin-6-one IUPAC Name: 9-(4-methylphenyl)sulfanyl-7-phenoxy-5H-benzo[b][1,4]benzoxazepin-6-one Traditional Name: 7-phenoxy-9-(p-tolylthio)-5H-benzo[b][1,4]benzoxazepin-6-one Formula: C26H19NO3S MolecularWeight: 425.49896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=C3C(=C2)OC4=CC=CC=C4NC3=O)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=C3C(=C2)OC4=CC=CC=C4NC3=O)OC5=CC=CC=C5

InChI

InChI=1S/C26H19NO3S/c1-17-11-13-19(14-12-17)31-20-15-23(29-18-7-3-2-4-8-18)25-24(16-20)30-22-10-6-5-9-21(22)27-26(25)28/h2-16H,1H3,(H,27,28)