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

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazole Openeye Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazole CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-4-ethyl-5-(7-methoxy-2-benzofuranyl)-1,2,4-triazole IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazole Traditional Name: 3-[(3,4-dichlorobenzyl)thio]-4-ethyl-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazole Formula: C20H17Cl2N3O2S MolecularWeight: 434.33888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl2N3O2S/c1-3-25-19(17-10-13-5-4-6-16(26-2)18(13)27-17)23-24-20(25)28-11-12-7-8-14(21)15(22)9-12/h4-10H,3,11H2,1-2H3