2-[(3-fluorophenyl)methylsulfanyl]-6-phenyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-6-phenyl-1H-pyrimidin-4-one Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-[(3-fluorophenyl)methylthio]-6-phenyl-1H-pyrimidin-4-one IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-6-phenyl-1H-pyrimidin-4-one Traditional Name: 2-[(3-fluorobenzyl)thio]-6-phenyl-1H-pyrimidin-4-one Formula: C17H13FN2OS MolecularWeight: 312.361323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)F

InChI

InChI=1S/C17H13FN2OS/c18-14-8-4-5-12(9-14)11-22-17-19-15(10-16(21)20-17)13-6-2-1-3-7-13/h1-10H,11H2,(H,19,20,21)