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

Systemtic Name: 1-(1-benzofuran-2-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(benzofuran-2-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2-benzofuranyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-benzofuran-2-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(benzofuran-2-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O2S/c1-2-23-19(14-8-4-3-5-9-14)21-22-20(23)26-13-16(24)18-12-15-10-6-7-11-17(15)25-18/h3-12H,2,13H2,1H3