4-(4-methylphenyl)sulfanyl-2-nitro-benzo[b][1]benzoxepine

Systemtic Name: 4-(4-methylphenyl)sulfanyl-2-nitro-benzo[b][1]benzoxepine Openeye Name: 2-nitro-4-(p-tolylsulfanyl)benzo[b][1]benzoxepine CAS Name: 4-[(4-methylphenyl)thio]-2-nitrobenzo[b][1]benzoxepin IUPAC Name: 4-(4-methylphenyl)sulfanyl-2-nitrobenzo[b][1]benzoxepine Traditional Name: 2-nitro-4-(p-tolylthio)benzo[b][1]benzoxepin Formula: C21H15NO3S MolecularWeight: 361.4137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC3=C2C=CC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC3=C2C=CC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C21H15NO3S/c1-14-6-9-17(10-7-14)26-21-13-16(22(23)24)12-20-18(21)11-8-15-4-2-3-5-19(15)25-20/h2-13H,1H3