2-(4-fluorophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one

Systemtic Name: 2-(4-fluorophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one Openeye Name: 2-(4-fluorophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 2-(4-fluorophenyl)-5-[(2-pyrimidinylthio)methyl]-1H-pyrazol-3-one IUPAC Name: 2-(4-fluorophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one Traditional Name: 2-(4-fluorophenyl)-5-[(2-pyrimidylthio)methyl]-3-pyrazolin-3-one Formula: C14H11FN4OS MolecularWeight: 302.326743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC2=CC(=O)N(N2)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CN=C(N=C1)SCC2=CC(=O)N(N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C14H11FN4OS/c15-10-2-4-12(5-3-10)19-13(20)8-11(18-19)9-21-14-16-6-1-7-17-14/h1-8,18H,9H2