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

Systemtic Name: 2-[[4-azanyl-5-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-[(2R)-2,3-dihydrobenzofuran-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-[(2R)-2,3-dihydrobenzofuran-2-yl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-[(2R)-coumaran-2-yl]-1,2,4-triazol-3-yl]thio]acetate Formula: C12H11N4O3S- MolecularWeight: 291.30574

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C21)C3=NN=C(N3N)SCC(=O)[O-]

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C21)C3=NN=C(N3N)SCC(=O)[O-]

InChI

InChI=1S/C12H12N4O3S/c13-16-11(14-15-12(16)20-6-10(17)18)9-5-7-3-1-2-4-8(7)19-9/h1-4,9H,5-6,13H2,(H,17,18)/p-1/t9-/m1/s1