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

Systemtic Name: 3-(1-benzofuran-2-yl)-4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(benzofuran-2-yl)-4-ethyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(2-benzofuranyl)-4-ethyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(1-benzofuran-2-yl)-4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(benzofuran-2-yl)-4-ethyl-5-[(4-methylbenzyl)thio]-1,2,4-triazole Formula: C20H19N3OS MolecularWeight: 349.44936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3OS/c1-3-23-19(18-12-16-6-4-5-7-17(16)24-18)21-22-20(23)25-13-15-10-8-14(2)9-11-15/h4-12H,3,13H2,1-2H3