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

Systemtic Name: 2-phenyl-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one Openeye Name: 2-phenyl-5-(2-pyridylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 2-phenyl-5-[(2-pyridinylthio)methyl]-1H-pyrazol-3-one IUPAC Name: 2-phenyl-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one Traditional Name: 2-phenyl-5-[(2-pyridylthio)methyl]-3-pyrazolin-3-one Formula: C15H13N3OS MolecularWeight: 283.34822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3OS/c19-15-10-12(11-20-14-8-4-5-9-16-14)17-18(15)13-6-2-1-3-7-13/h1-10,17H,11H2