4-(2-hydroxyethyl)-5-methyl-2-[2-(phenylmethylsulfanyl)ethanoyl]-1H-pyrazol-3-one

Systemtic Name: 4-(2-hydroxyethyl)-5-methyl-2-[2-(phenylmethylsulfanyl)ethanoyl]-1H-pyrazol-3-one Openeye Name: 2-(2-benzylsulfanylacetyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one CAS Name: 4-(2-hydroxyethyl)-5-methyl-2-[1-oxo-2-(phenylmethylthio)ethyl]-1H-pyrazol-3-one IUPAC Name: 2-(2-benzylsulfanylacetyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one Traditional Name: 2-[2-(benzylthio)acetyl]-4-(2-hydroxyethyl)-5-methyl-3-pyrazolin-3-one Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C(=O)CSCC2=CC=CC=C2)CCO

Isomeric SMILES

CC1=C(C(=O)N(N1)C(=O)CSCC2=CC=CC=C2)CCO

InChI

InChI=1S/C15H18N2O3S/c1-11-13(7-8-18)15(20)17(16-11)14(19)10-21-9-12-5-3-2-4-6-12/h2-6,16,18H,7-10H2,1H3