2-[[4-azanyl-5-(1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-azanyl-5-(1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(2-benzofuranyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-(1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(benzofuran-2-yl)-1,2,4-triazol-3-yl]thio]acetate Formula: C12H9N4O3S- MolecularWeight: 289.28986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C3=NN=C(N3N)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C3=NN=C(N3N)SCC(=O)[O-]

InChI

InChI=1S/C12H10N4O3S/c13-16-11(14-15-12(16)20-6-10(17)18)9-5-7-3-1-2-4-8(7)19-9/h1-5H,6,13H2,(H,17,18)/p-1