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

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]pyrazol-3-olate Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-(p-tolylsulfanylmethyl)pyrazol-3-olate CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)-5-[[(4-methylphenyl)thio]methyl]-3-pyrazololate IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]pyrazol-3-olate Traditional Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-[(p-tolylthio)methyl]pyrazol-3-olate Formula: C17H17N4OS- MolecularWeight: 325.40808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN(C(=C2)[O-])C3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN(C(=C2)[O-])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/h4-9,22H,10H2,1-3H3/p-1