5-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxymethyl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxymethyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(3-ethoxycarbonyl-2-phenyl-benzofuran-5-yl)oxymethyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(3-ethoxycarbonyl-2-phenyl-5-benzofuranyl)oxymethyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxymethyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(3-carbethoxy-2-phenyl-benzofuran-5-yl)oxymethyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C26H20N3O4S- MolecularWeight: 470.5197

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)[S-])C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)[S-])C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O4S/c1-2-31-25(30)23-20-15-19(13-14-21(20)33-24(23)17-9-5-3-6-10-17)32-16-22-27-28-26(34)29(22)18-11-7-4-8-12-18/h3-15H,2,16H2,1H3,(H,28,34)/p-1