2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-5-oxidanyl-pyran-4-one

Systemtic Name: 2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-5-oxidanyl-pyran-4-one Openeye Name: 2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-5-hydroxy-pyran-4-one CAS Name: 2-[(4,5-dihydro-1H-imidazol-2-ylthio)methyl]-5-hydroxy-4-pyranone IUPAC Name: 2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-5-hydroxypyran-4-one Traditional Name: 5-hydroxy-2-[(2-imidazolin-2-ylthio)methyl]pyran-4-one Formula: C9H10N2O3S MolecularWeight: 226.2523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)SCC2=CC(=O)C(=CO2)O

Isomeric SMILES

C1CN=C(N1)SCC2=CC(=O)C(=CO2)O

InChI

InChI=1S/C9H10N2O3S/c12-7-3-6(14-4-8(7)13)5-15-9-10-1-2-11-9/h3-4,13H,1-2,5H2,(H,10,11)