5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-2-furoate Formula: C9H8N3O3S- MolecularWeight: 238.24312

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CN1C=NN=C1SCC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C9H9N3O3S/c1-12-5-10-11-9(12)16-4-6-2-3-7(15-6)8(13)14/h2-3,5H,4H2,1H3,(H,13,14)/p-1