1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[6-ethyl-2-(4-fluorophenyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]thio]ethanone Formula: C26H21FN2O3S MolecularWeight: 460.519943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=C(C=C5)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H21FN2O3S/c1-2-16-3-9-21-20(13-16)26(29-25(28-21)17-4-7-19(27)8-5-17)33-15-22(30)18-6-10-23-24(14-18)32-12-11-31-23/h3-10,13-14H,2,11-12,15H2,1H3