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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC2=CC(=O)NN2

Isomeric SMILES

C1=CC=NC(=C1)SCC2=CC(=O)NN2

InChI

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