4-ethyl-4-(2-ethylsulfanylethyl)-2-phenyl-pyrazol-3-one

Systemtic Name: 4-ethyl-4-(2-ethylsulfanylethyl)-2-phenyl-pyrazol-3-one Openeye Name: 4-ethyl-4-(2-ethylsulfanylethyl)-2-phenyl-pyrazol-3-one CAS Name: 4-ethyl-4-[2-(ethylthio)ethyl]-2-phenyl-3-pyrazolone IUPAC Name: 4-ethyl-4-(2-ethylsulfanylethyl)-2-phenylpyrazol-3-one Traditional Name: 4-ethyl-4-[2-(ethylthio)ethyl]-2-phenyl-2-pyrazolin-3-one Formula: C15H20N2OS MolecularWeight: 276.3971

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C=NN(C1=O)C2=CC=CC=C2)CCSCC

Isomeric SMILES

CCC1(C=NN(C1=O)C2=CC=CC=C2)CCSCC

InChI

InChI=1S/C15H20N2OS/c1-3-15(10-11-19-4-2)12-16-17(14(15)18)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3