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

Systemtic Name: 2-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 2-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one CAS Name: 2-(4-methoxyphenyl)-5-[[(4-methyl-2-pyrimidinyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 2-(4-methoxyphenyl)-5-[[(4-methylpyrimidin-2-yl)thio]methyl]-3-pyrazolin-3-one Formula: C16H16N4O2S MolecularWeight: 328.38884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O2S/c1-11-7-8-17-16(18-11)23-10-12-9-15(21)20(19-12)13-3-5-14(22-2)6-4-13/h3-9,19H,10H2,1-2H3