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

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole Openeye Name: 3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole CAS Name: 3-[(2-chloro-4-fluorophenyl)methylthio]-4-ethyl-5-methyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-ethyl-5-methyl-1,2,4-triazole Traditional Name: 3-[(2-chloro-4-fluoro-benzyl)thio]-4-ethyl-5-methyl-1,2,4-triazole Formula: C12H13ClFN3S MolecularWeight: 285.768123

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C=C(C=C2)F)Cl)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C=C(C=C2)F)Cl)C

InChI

InChI=1S/C12H13ClFN3S/c1-3-17-8(2)15-16-12(17)18-7-9-4-5-10(14)6-11(9)13/h4-6H,3,7H2,1-2H3