3-(5-bromanyl-1-benzofuran-2-yl)-4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(5-bromanyl-1-benzofuran-2-yl)-4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(5-bromobenzofuran-2-yl)-4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(5-bromo-2-benzofuranyl)-4-ethyl-5-[(4-fluorophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(5-bromo-1-benzofuran-2-yl)-4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(5-bromobenzofuran-2-yl)-4-ethyl-5-[(4-fluorobenzyl)thio]-1,2,4-triazole Formula: C19H15BrFN3OS MolecularWeight: 432.309303

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)F)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)F)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C19H15BrFN3OS/c1-2-24-18(17-10-13-9-14(20)5-8-16(13)25-17)22-23-19(24)26-11-12-3-6-15(21)7-4-12/h3-10H,2,11H2,1H3