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

Systemtic Name: 1-(1-benzofuran-2-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(benzofuran-2-yl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2-benzofuranyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-benzofuran-2-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(benzofuran-2-yl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H14N4O2S MolecularWeight: 350.39436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3O2)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3O2)C4=CC=NC=C4

InChI

InChI=1S/C18H14N4O2S/c1-22-17(12-6-8-19-9-7-12)20-21-18(22)25-11-14(23)16-10-13-4-2-3-5-15(13)24-16/h2-10H,11H2,1H3