2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-1-(4-methoxyphenyl)ethanone

Systemtic Name: 2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-1-(4-methoxyphenyl)ethanone CAS Name: 2-[[6-ethyl-2-(4-fluorophenyl)-4-quinazolinyl]thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]thio]-1-(4-methoxyphenyl)ethanone Formula: C25H21FN2O2S MolecularWeight: 432.509843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN2O2S/c1-3-16-4-13-22-21(14-16)25(28-24(27-22)18-5-9-19(26)10-6-18)31-15-23(29)17-7-11-20(30-2)12-8-17/h4-14H,3,15H2,1-2H3