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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C3C(=CC(=C2)OC4=CC=CC=C4)OC5=CC=CC=C5NC3=O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C3C(=CC(=C2)OC4=CC=CC=C4)OC5=CC=CC=C5NC3=O

InChI

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