2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-oxidanyl-pyran-4-one

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-oxidanyl-pyran-4-one Openeye Name: 5-hydroxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyran-4-one CAS Name: 5-hydroxy-2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-pyranone IUPAC Name: 5-hydroxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyran-4-one Traditional Name: 5-hydroxy-2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]pyran-4-one Formula: C9H9N3O3S MolecularWeight: 239.25106

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=CC(=O)C(=CO2)O

Isomeric SMILES

CN1C=NN=C1SCC2=CC(=O)C(=CO2)O

InChI

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