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

Systemtic Name: 7-(4-methylphenyl)sulfanyl-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 9-nitro-7-(p-tolylsulfanyl)-5H-benzo[b][1,4]benzoxazepin-6-one CAS Name: 7-[(4-methylphenyl)thio]-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one IUPAC Name: 7-(4-methylphenyl)sulfanyl-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Traditional Name: 9-nitro-7-(p-tolylthio)-5H-benzo[b][1,4]benzoxazepin-6-one Formula: C20H14N2O4S MolecularWeight: 378.40116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC3=C2C(=O)NC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC3=C2C(=O)NC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C20H14N2O4S/c1-12-6-8-14(9-7-12)27-18-11-13(22(24)25)10-17-19(18)20(23)21-15-4-2-3-5-16(15)26-17/h2-11H,1H3,(H,21,23)