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

Systemtic Name: 2-(4-methoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 2-(4-methoxyphenyl)-5-(p-tolylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 2-(4-methoxyphenyl)-5-[[(4-methylphenyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(4-methoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 2-(4-methoxyphenyl)-5-[(p-tolylthio)methyl]-3-pyrazolin-3-one Formula: C18H18N2O2S MolecularWeight: 326.41272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)N(N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N(N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H18N2O2S/c1-13-3-9-17(10-4-13)23-12-14-11-18(21)20(19-14)15-5-7-16(22-2)8-6-15/h3-11,19H,12H2,1-2H3