1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]ethanone Formula: C20H15F3N2O3S MolecularWeight: 420.40491

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F)OC1

InChI

InChI=1S/C20H15F3N2O3S/c21-20(22,23)19-24-14-5-2-1-4-13(14)18(25-19)29-11-15(26)12-6-7-16-17(10-12)28-9-3-8-27-16/h1-2,4-7,10H,3,8-9,11H2