4-tert-butyl-3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-tert-butyl-3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-tert-butyl-3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-tert-butyl-3-[(2-chloro-6-fluorophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-tert-butyl-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-tert-butyl-3-[(2-chloro-6-fluoro-benzyl)thio]-1,2,4-triazole Formula: C13H15ClFN3S MolecularWeight: 299.794703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=NN=C1SCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC(C)(C)N1C=NN=C1SCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C13H15ClFN3S/c1-13(2,3)18-8-16-17-12(18)19-7-9-10(14)5-4-6-11(9)15/h4-6,8H,7H2,1-3H3