5-[(4-chlorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1H-pyrazol-3-one

Systemtic Name: 5-[(4-chlorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1H-pyrazol-3-one Openeye Name: 5-[(4-chlorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1H-pyrazol-3-one CAS Name: 5-[[(4-chlorophenyl)thio]methyl]-2-(4-methoxyphenyl)-1H-pyrazol-3-one IUPAC Name: 5-[(4-chlorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1H-pyrazol-3-one Traditional Name: 5-[[(4-chlorophenyl)thio]methyl]-2-(4-methoxyphenyl)-3-pyrazolin-3-one Formula: C17H15ClN2O2S MolecularWeight: 346.8312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C=C(N2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C=C(N2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN2O2S/c1-22-15-6-4-14(5-7-15)20-17(21)10-13(19-20)11-23-16-8-2-12(18)3-9-16/h2-10,19H,11H2,1H3