2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1H-quinazolin-4-one Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1H-quinazolin-4-one CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methylthio]-1H-quinazolin-4-one IUPAC Name: 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1H-quinazolin-4-one Traditional Name: 2-[(3-fluoro-4-methoxy-benzyl)thio]-1H-quinazolin-4-one Formula: C16H13FN2O2S MolecularWeight: 316.350023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC(=O)C3=CC=CC=C3N2)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC(=O)C3=CC=CC=C3N2)F

InChI

InChI=1S/C16H13FN2O2S/c1-21-14-7-6-10(8-12(14)17)9-22-16-18-13-5-3-2-4-11(13)15(20)19-16/h2-8H,9H2,1H3,(H,18,19,20)