(5Z)-3-(2-hydroxyethylsulfanylmethyl)-5-[methoxy(oxidanyl)methylidene]-1H-pyrazol-4-one

Systemtic Name: (5Z)-3-(2-hydroxyethylsulfanylmethyl)-5-[methoxy(oxidanyl)methylidene]-1H-pyrazol-4-one Openeye Name: (5Z)-3-(2-hydroxyethylsulfanylmethyl)-5-[hydroxy(methoxy)methylene]-1H-pyrazol-4-one CAS Name: (5Z)-3-[(2-hydroxyethylthio)methyl]-5-[hydroxy(methoxy)methylidene]-1H-pyrazol-4-one IUPAC Name: (5Z)-3-(2-hydroxyethylsulfanylmethyl)-5-[hydroxy(methoxy)methylidene]-1H-pyrazol-4-one Traditional Name: (5Z)-3-[(2-hydroxyethylthio)methyl]-5-[hydroxy(methoxy)methylene]-2-pyrazolin-4-one Formula: C8H12N2O4S MolecularWeight: 232.25688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C1C(=O)C(=NN1)CSCCO)O

Isomeric SMILES

CO/C(=C\1/C(=O)C(=NN1)CSCCO)/O

InChI

InChI=1S/C8H12N2O4S/c1-14-8(13)6-7(12)5(9-10-6)4-15-3-2-11/h10-11,13H,2-4H2,1H3/b8-6-