3-(pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one

Systemtic Name: 3-(pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one Openeye Name: 3-(2-pyridylsulfanylmethyl)-1,4-dihydropyrazol-5-one CAS Name: 3-[(2-pyridinylthio)methyl]-1,4-dihydropyrazol-5-one IUPAC Name: 3-(pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one Traditional Name: 5-[(2-pyridylthio)methyl]-2-pyrazolin-3-one Formula: C9H9N3OS MolecularWeight: 207.25226

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NNC1=O)CSC2=CC=CC=N2

Isomeric SMILES

C1C(=NNC1=O)CSC2=CC=CC=N2

InChI

InChI=1S/C9H9N3OS/c13-8-5-7(11-12-8)6-14-9-3-1-2-4-10-9/h1-4H,5-6H2,(H,12,13)