3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazole Formula: C21H23BrFN3S MolecularWeight: 448.394823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C=C(C=C2)Br)F)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C=C(C=C2)Br)F)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H23BrFN3S/c1-5-26-19(14-6-9-16(10-7-14)21(2,3)4)24-25-20(26)27-13-15-8-11-17(22)12-18(15)23/h6-12H,5,13H2,1-4H3