3-[5-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(3-fluoro-4-methoxyphenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(3-fluoro-4-methoxy-benzyl)thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C14H17FN4O2S MolecularWeight: 324.373783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=C(C=C2)OC)F)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=C(C=C2)OC)F)CCC(=O)N

InChI

InChI=1S/C14H17FN4O2S/c1-19-13(6-5-12(16)20)17-18-14(19)22-8-9-3-4-11(21-2)10(15)7-9/h3-4,7H,5-6,8H2,1-2H3,(H2,16,20)