7-[(4-phenylphenyl)methylsulfanyl]-3,4-dihydro-2H-1,5-benzodioxepine

Systemtic Name: 7-[(4-phenylphenyl)methylsulfanyl]-3,4-dihydro-2H-1,5-benzodioxepine Openeye Name: 7-[(4-phenylphenyl)methylsulfanyl]-3,4-dihydro-2H-1,5-benzodioxepine CAS Name: 7-[(4-phenylphenyl)methylthio]-3,4-dihydro-2H-1,5-benzodioxepin IUPAC Name: 7-[(4-phenylphenyl)methylsulfanyl]-3,4-dihydro-2H-1,5-benzodioxepine Traditional Name: 7-[(4-phenylbenzyl)thio]-3,4-dihydro-2H-1,5-benzodioxepin Formula: C22H20O2S MolecularWeight: 348.458

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=CC=C(C=C3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=CC=C(C=C3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C22H20O2S/c1-2-5-18(6-3-1)19-9-7-17(8-10-19)16-25-20-11-12-21-22(15-20)24-14-4-13-23-21/h1-3,5-12,15H,4,13-14,16H2