3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-ethyl-5-(7-methoxy-2-benzofuranyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-ethyl-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazole Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O2S/c1-3-24-19(17-11-14-5-4-6-16(25-2)18(14)26-17)22-23-20(24)27-12-13-7-9-15(21)10-8-13/h4-11H,3,12H2,1-2H3