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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 2-[[5-(benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 2-[[5-(2-benzofuranyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-(benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionic acid Formula: C19H15N3O3S MolecularWeight: 365.4057

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=C(N1C2=CC=CC=C2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C(=O)O)SC1=NN=C(N1C2=CC=CC=C2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C19H15N3O3S/c1-12(18(23)24)26-19-21-20-17(22(19)14-8-3-2-4-9-14)16-11-13-7-5-6-10-15(13)25-16/h2-12H,1H3,(H,23,24)