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

Systemtic Name: (5E)-5-[azanyl(oxidanyl)methylidene]-3-(2-hydroxyethylsulfanylmethyl)-1H-pyrazol-4-one Openeye Name: (5E)-5-[amino(hydroxy)methylene]-3-(2-hydroxyethylsulfanylmethyl)-1H-pyrazol-4-one CAS Name: (5E)-5-[amino(hydroxy)methylidene]-3-[(2-hydroxyethylthio)methyl]-1H-pyrazol-4-one IUPAC Name: (5E)-5-[amino(hydroxy)methylidene]-3-(2-hydroxyethylsulfanylmethyl)-1H-pyrazol-4-one Traditional Name: (3E)-3-[amino(hydroxy)methylene]-5-[(2-hydroxyethylthio)methyl]-2-pyrazolin-4-one Formula: C7H11N3O3S MolecularWeight: 217.24554

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Descriptors Computed from Structure

Canonical SMILES:

C(CSCC1=NNC(=C(N)O)C1=O)O

Isomeric SMILES

C(CSCC1=NN/C(=C(\N)/O)/C1=O)O

InChI

InChI=1S/C7H11N3O3S/c8-7(13)5-6(12)4(9-10-5)3-14-2-1-11/h10-11,13H,1-3,8H2/b7-5+