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

Systemtic Name: 2-(2-methoxyphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one Openeye Name: 2-(2-methoxyphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 2-(2-methoxyphenyl)-5-[(2-pyrimidinylthio)methyl]-1H-pyrazol-3-one IUPAC Name: 2-(2-methoxyphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrazol-3-one Traditional Name: 2-(2-methoxyphenyl)-5-[(2-pyrimidylthio)methyl]-3-pyrazolin-3-one Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C=C(N2)CSC3=NC=CC=N3

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C=C(N2)CSC3=NC=CC=N3

InChI

InChI=1S/C15H14N4O2S/c1-21-13-6-3-2-5-12(13)19-14(20)9-11(18-19)10-22-15-16-7-4-8-17-15/h2-9,18H,10H2,1H3