2-[[4-azanyl-5-(2,5-dimethylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-azanyl-5-(2,5-dimethylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(2,5-dimethyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-(2,5-dimethyl-3-furanyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-(2,5-dimethylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-(2,5-dimethyl-3-furyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C10H12N4O3S MolecularWeight: 268.29228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C2=NN=C(N2N)SCC(=O)O

Isomeric SMILES

CC1=CC(=C(O1)C)C2=NN=C(N2N)SCC(=O)O

InChI

InChI=1S/C10H12N4O3S/c1-5-3-7(6(2)17-5)9-12-13-10(14(9)11)18-4-8(15)16/h3H,4,11H2,1-2H3,(H,15,16)