5-ethyl-2-(2-phenyl-1-sulfanyl-ethyl)-1H-pyrazol-3-one

Systemtic Name: 5-ethyl-2-(2-phenyl-1-sulfanyl-ethyl)-1H-pyrazol-3-one Openeye Name: 5-ethyl-2-(2-phenyl-1-sulfanyl-ethyl)-1H-pyrazol-3-one CAS Name: 5-ethyl-2-(1-mercapto-2-phenylethyl)-1H-pyrazol-3-one IUPAC Name: 5-ethyl-2-(2-phenyl-1-sulfanylethyl)-1H-pyrazol-3-one Traditional Name: 5-ethyl-2-(1-mercapto-2-phenyl-ethyl)-3-pyrazolin-3-one Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N(N1)C(CC2=CC=CC=C2)S

Isomeric SMILES

CCC1=CC(=O)N(N1)C(CC2=CC=CC=C2)S

InChI

InChI=1S/C13H16N2OS/c1-2-11-9-12(16)15(14-11)13(17)8-10-6-4-3-5-7-10/h3-7,9,13-14,17H,2,8H2,1H3