2-(4-chlorophenyl)-4-ethanoyl-5-(2-methylsulfanylphenyl)-1H-pyrazol-3-one

Systemtic Name: 2-(4-chlorophenyl)-4-ethanoyl-5-(2-methylsulfanylphenyl)-1H-pyrazol-3-one Openeye Name: 4-acetyl-2-(4-chlorophenyl)-5-(2-methylsulfanylphenyl)-1H-pyrazol-3-one CAS Name: 4-acetyl-2-(4-chlorophenyl)-5-[2-(methylthio)phenyl]-1H-pyrazol-3-one IUPAC Name: 4-acetyl-2-(4-chlorophenyl)-5-(2-methylsulfanylphenyl)-1H-pyrazol-3-one Traditional Name: 4-acetyl-2-(4-chlorophenyl)-5-[2-(methylthio)phenyl]-3-pyrazolin-3-one Formula: C18H15ClN2O2S MolecularWeight: 358.8419

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NN(C1=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3SC

Isomeric SMILES

CC(=O)C1=C(NN(C1=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3SC

InChI

InChI=1S/C18H15ClN2O2S/c1-11(22)16-17(14-5-3-4-6-15(14)24-2)20-21(18(16)23)13-9-7-12(19)8-10-13/h3-10,20H,1-2H3