1-(1-benzofuran-2-yl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(1-benzofuran-2-yl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(benzofuran-2-yl)-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2-benzofuranyl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-benzofuran-2-yl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(benzofuran-2-yl)-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=C4C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=C4C

InChI

InChI=1S/C21H19N3O2S/c1-3-24-20(16-10-6-4-8-14(16)2)22-23-21(24)27-13-17(25)19-12-15-9-5-7-11-18(15)26-19/h4-12H,3,13H2,1-2H3