2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: 2-[[6-ethyl-2-(4-fluorophenyl)-4-quinazolinyl]thio]-N-prop-2-enylacetamide IUPAC Name: 2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]thio]acetamide Formula: C21H20FN3OS MolecularWeight: 381.466403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3OS/c1-3-11-23-19(26)13-27-21-17-12-14(4-2)5-10-18(17)24-20(25-21)15-6-8-16(22)9-7-15/h3,5-10,12H,1,4,11,13H2,2H3,(H,23,26)