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

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[(3-fluoro-4-methoxy-benzyl)thio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C14H18FN3O3S MolecularWeight: 327.374423

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCC2=CC(=C(C=C2)OC)F

Isomeric SMILES

COCCCN1C(=O)NN=C1SCC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C14H18FN3O3S/c1-20-7-3-6-18-13(19)16-17-14(18)22-9-10-4-5-12(21-2)11(15)8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,19)