3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(3-fluoro-4-methoxy-benzyl)thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C13H16FN3O2S MolecularWeight: 297.348443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C13H16FN3O2S/c1-3-6-17-12(18)15-16-13(17)20-8-9-4-5-11(19-2)10(14)7-9/h4-5,7H,3,6,8H2,1-2H3,(H,15,18)