3-(4-methylphenyl)carbonyl-5H-benzo[b][1]benzothiepin-6-one

Systemtic Name: 3-(4-methylphenyl)carbonyl-5H-benzo[b][1]benzothiepin-6-one Openeye Name: 3-(4-methylbenzoyl)-5H-benzo[b][1]benzothiepin-6-one CAS Name: 3-[(4-methylphenyl)-oxomethyl]-5H-benzo[b][1]benzothiepin-6-one IUPAC Name: 3-(4-methylbenzoyl)-5H-benzo[b][1]benzothiepin-6-one Traditional Name: 3-p-toluoyl-5H-benzo[b][1]benzothiepin-6-one Formula: C22H16O2S MolecularWeight: 344.42624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)C3

InChI

InChI=1S/C22H16O2S/c1-14-6-8-15(9-7-14)22(24)16-10-11-20-17(12-16)13-19(23)18-4-2-3-5-21(18)25-20/h2-12H,13H2,1H3