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

Systemtic Name: 9-(4-methylphenyl)sulfanyl-5H-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 9-(p-tolylsulfanyl)-5H-benzo[b][1,4]benzoxazepin-6-one CAS Name: 9-[(4-methylphenyl)thio]-5H-benzo[b][1,4]benzoxazepin-6-one IUPAC Name: 9-(4-methylphenyl)sulfanyl-5H-benzo[b][1,4]benzoxazepin-6-one Traditional Name: 9-(p-tolylthio)-5H-benzo[b][1,4]benzoxazepin-6-one Formula: C20H15NO2S MolecularWeight: 333.4036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC3=C(C=C2)C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC3=C(C=C2)C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C20H15NO2S/c1-13-6-8-14(9-7-13)24-15-10-11-16-19(12-15)23-18-5-3-2-4-17(18)21-20(16)22/h2-12H,1H3,(H,21,22)