2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(thiophen-2-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(thiophen-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(2-thienylmethyl)quinazolin-4-one CAS Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-3-(thiophen-2-ylmethyl)-4-quinazolinone IUPAC Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(thiophen-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-3-(2-thenyl)quinazolin-4-one Formula: C22H17FN2O3S2 MolecularWeight: 440.510383

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CS5)F

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CS5)F

InChI

InChI=1S/C22H17FN2O3S2/c23-16-8-14-11-27-13-28-20(14)15(9-16)12-30-22-24-19-6-2-1-5-18(19)21(26)25(22)10-17-4-3-7-29-17/h1-9H,10-13H2