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

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[(3-fluoro-4-methoxy-benzyl)thio]-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-5-one Formula: C15H18FN3O3S MolecularWeight: 339.385123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NNC(=O)N2CC3CCCO3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NNC(=O)N2CC3CCCO3)F

InChI

InChI=1S/C15H18FN3O3S/c1-21-13-5-4-10(7-12(13)16)9-23-15-18-17-14(20)19(15)8-11-3-2-6-22-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,20)