5-[[4-azanyl-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-azanyl-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-amino-5-[(2R)-tetrahydrofuran-2-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-amino-5-[(2R)-2-oxolanyl]-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-amino-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-amino-5-[(2R)-tetrahydrofuran-2-yl]-1,2,4-triazol-3-yl]thio]methyl]-2-furoic acid Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C2=NN=C(N2N)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

C1C[C@@H](OC1)C2=NN=C(N2N)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C12H14N4O4S/c13-16-10(8-2-1-5-19-8)14-15-12(16)21-6-7-3-4-9(20-7)11(17)18/h3-4,8H,1-2,5-6,13H2,(H,17,18)/t8-/m1/s1