2-(4,6-dimethylpyrimidin-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-(p-tolylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)-5-[[(4-methylphenyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-[(p-tolylthio)methyl]-3-pyrazolin-3-one Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)N(N2)C3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N(N2)C3=NC(=CC(=N3)C)C

InChI

InChI=1S/C17H18N4OS/c1-11-4-6-15(7-5-11)23-10-14-9-16(22)21(20-14)17-18-12(2)8-13(3)19-17/h4-9,20H,10H2,1-3H3