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

Systemtic Name: 7,9-bis[(4-methylphenyl)sulfanyl]-5H-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 7,9-bis(p-tolylsulfanyl)-5H-benzo[b][1,4]benzoxazepin-6-one CAS Name: 7,9-bis[(4-methylphenyl)thio]-5H-benzo[b][1,4]benzoxazepin-6-one IUPAC Name: 7,9-bis[(4-methylphenyl)sulfanyl]-5H-benzo[b][1,4]benzoxazepin-6-one Traditional Name: 7,9-bis(p-tolylthio)-5H-benzo[b][1,4]benzoxazepin-6-one Formula: C27H21NO2S2 MolecularWeight: 455.59114

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)SC5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=C3C(=C2)OC4=CC=CC=C4NC3=O)SC5=CC=C(C=C5)C

InChI

InChI=1S/C27H21NO2S2/c1-17-7-11-19(12-8-17)31-21-15-24-26(25(16-21)32-20-13-9-18(2)10-14-20)27(29)28-22-5-3-4-6-23(22)30-24/h3-16H,1-2H3,(H,28,29)