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

Systemtic Name: 3-(5-bromanyl-1-benzofuran-2-yl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(5-bromobenzofuran-2-yl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(5-bromo-2-benzofuranyl)-5-[(4-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(5-bromo-1-benzofuran-2-yl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(5-bromobenzofuran-2-yl)-5-[(4-fluorobenzyl)thio]-1,2,4-triazole Formula: C20H15BrFN3OS MolecularWeight: 444.320003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrFN3OS/c1-2-9-25-19(18-11-14-10-15(21)5-8-17(14)26-18)23-24-20(25)27-12-13-3-6-16(22)7-4-13/h2-8,10-11H,1,9,12H2