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

Systemtic Name: 4-ethyl-3-(7-methoxy-1-benzofuran-2-yl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-(7-methoxybenzofuran-2-yl)-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-ethyl-3-(7-methoxy-2-benzofuranyl)-5-[(4-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-(7-methoxy-1-benzofuran-2-yl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-(7-methoxybenzofuran-2-yl)-5-[(4-methylbenzyl)thio]-1,2,4-triazole Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c1-4-24-20(18-12-16-6-5-7-17(25-3)19(16)26-18)22-23-21(24)27-13-15-10-8-14(2)9-11-15/h5-12H,4,13H2,1-3H3