2-[2-(2-fluoranylphenoxy)ethylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[2-(2-fluoranylphenoxy)ethylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one Openeye Name: 2-[2-(2-fluorophenoxy)ethylsulfanyl]-3-(3-pyridylmethyl)quinazolin-4-one CAS Name: 2-[2-(2-fluorophenoxy)ethylthio]-3-(3-pyridinylmethyl)-4-quinazolinone IUPAC Name: 2-[2-(2-fluorophenoxy)ethylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one Traditional Name: 2-[2-(2-fluorophenoxy)ethylthio]-3-(3-pyridylmethyl)quinazolin-4-one Formula: C22H18FN3O2S MolecularWeight: 407.460623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCOC3=CC=CC=C3F)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCOC3=CC=CC=C3F)CC4=CN=CC=C4

InChI

InChI=1S/C22H18FN3O2S/c23-18-8-2-4-10-20(18)28-12-13-29-22-25-19-9-3-1-7-17(19)21(27)26(22)15-16-6-5-11-24-14-16/h1-11,14H,12-13,15H2