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

Systemtic Name: 3-(1-benzofuran-2-yl)-5-[(4-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(benzofuran-2-yl)-5-[(4-bromophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-benzofuranyl)-5-[(4-bromophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(1-benzofuran-2-yl)-5-[(4-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(benzofuran-2-yl)-5-[(4-bromobenzyl)thio]-1,2,4-triazole Formula: C20H16BrN3OS MolecularWeight: 426.32954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H16BrN3OS/c1-2-11-24-19(18-12-15-5-3-4-6-17(15)25-18)22-23-20(24)26-13-14-7-9-16(21)10-8-14/h2-10,12H,1,11,13H2