3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4,5-diethyl-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4,5-diethyl-1,2,4-triazole Openeye Name: 3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-4,5-diethyl-1,2,4-triazole CAS Name: 3-[(2-chloro-4-fluorophenyl)methylthio]-4,5-diethyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4,5-diethyl-1,2,4-triazole Traditional Name: 3-[(2-chloro-4-fluoro-benzyl)thio]-4,5-diethyl-1,2,4-triazole Formula: C13H15ClFN3S MolecularWeight: 299.794703

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC)SCC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CCC1=NN=C(N1CC)SCC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C13H15ClFN3S/c1-3-12-16-17-13(18(12)4-2)19-8-9-5-6-10(15)7-11(9)14/h5-7H,3-4,8H2,1-2H3