3-[5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(2-chloro-6-fluorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(2-chloro-6-fluoro-benzyl)thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C13H14ClFN4OS MolecularWeight: 328.792863

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)CCC(=O)N

InChI

InChI=1S/C13H14ClFN4OS/c1-19-12(6-5-11(16)20)17-18-13(19)21-7-8-9(14)3-2-4-10(8)15/h2-4H,5-7H2,1H3,(H2,16,20)