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

Systemtic Name: 4-butyl-3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(3-fluoro-4-methoxyphenyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(3-fluoro-4-methoxy-benzyl)thio]-1H-1,2,4-triazol-5-one Formula: C14H18FN3O2S MolecularWeight: 311.375023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C14H18FN3O2S/c1-3-4-7-18-13(19)16-17-14(18)21-9-10-5-6-12(20-2)11(15)8-10/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,19)