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

Systemtic Name: 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-2-furoic acid Formula: C9H9N3O3S MolecularWeight: 239.25106

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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)