2-(1,3-benzoxazol-2-ylsulfanylmethyl)-3-(4-fluorophenyl)quinazolin-4-one

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-3-(4-fluorophenyl)quinazolin-4-one Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-3-(4-fluorophenyl)quinazolin-4-one CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-3-(4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-3-(4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-3-(4-fluorophenyl)quinazolin-4-one Formula: C22H14FN3O2S MolecularWeight: 403.428863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC4=CC=CC=C4O3)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC4=CC=CC=C4O3)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H14FN3O2S/c23-14-9-11-15(12-10-14)26-20(24-17-6-2-1-5-16(17)21(26)27)13-29-22-25-18-7-3-4-8-19(18)28-22/h1-12H,13H2