3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)thio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C13H15ClFN3O2S MolecularWeight: 331.793503

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCC2=C(C=CC=C2Cl)F

Isomeric SMILES

COCCCN1C(=O)NN=C1SCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C13H15ClFN3O2S/c1-20-7-3-6-18-12(19)16-17-13(18)21-8-9-10(14)4-2-5-11(9)15/h2,4-5H,3,6-8H2,1H3,(H,16,19)