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

Systemtic Name: 2-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one Openeye Name: 2-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 2-phenyl-5-[(2-pyrimidinylthio)methyl]-1H-pyrazol-3-one IUPAC Name: 2-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one Traditional Name: 2-phenyl-5-[(2-pyrimidylthio)methyl]-3-pyrazolin-3-one Formula: C14H12N4OS MolecularWeight: 284.33628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4OS/c19-13-9-11(10-20-14-15-7-4-8-16-14)17-18(13)12-5-2-1-3-6-12/h1-9,17H,10H2