2-(3-methylphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one

Systemtic Name: 2-(3-methylphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one Openeye Name: 2-(m-tolyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 2-(3-methylphenyl)-5-[(2-pyrimidinylthio)methyl]-1H-pyrazol-3-one IUPAC Name: 2-(3-methylphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one Traditional Name: 2-(m-tolyl)-5-[(2-pyrimidylthio)methyl]-3-pyrazolin-3-one Formula: C15H14N4OS MolecularWeight: 298.36286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C=C(N2)CSC3=NC=CC=N3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C=C(N2)CSC3=NC=CC=N3

InChI

InChI=1S/C15H14N4OS/c1-11-4-2-5-13(8-11)19-14(20)9-12(18-19)10-21-15-16-6-3-7-17-15/h2-9,18H,10H2,1H3