2-[(3-fluorophenyl)methylsulfanyl]-3-(6-methoxyhepta-1,3,5-trien-3-yl)quinazolin-4-one

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-(6-methoxyhepta-1,3,5-trien-3-yl)quinazolin-4-one Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-(4-methoxy-1-vinyl-penta-1,3-dienyl)quinazolin-4-one CAS Name: 2-[(3-fluorophenyl)methylthio]-3-(6-methoxyhepta-1,3,5-trien-3-yl)-4-quinazolinone IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-(6-methoxyhepta-1,3,5-trien-3-yl)quinazolin-4-one Traditional Name: 2-[(3-fluorobenzyl)thio]-3-(4-methoxy-1-vinyl-penta-1,3-dienyl)quinazolin-4-one Formula: C23H21FN2O2S MolecularWeight: 408.488443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=C(C=C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=CC=C3)F)OC

Isomeric SMILES

CC(=CC=C(C=C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=CC=C3)F)OC

InChI

InChI=1S/C23H21FN2O2S/c1-4-19(13-12-16(2)28-3)26-22(27)20-10-5-6-11-21(20)25-23(26)29-15-17-8-7-9-18(24)14-17/h4-14H,1,15H2,2-3H3