2-phenyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)sulfanylmethyl]-4H-pyrazol-3-one

Systemtic Name: 2-phenyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)sulfanylmethyl]-4H-pyrazol-3-one Openeye Name: 2-phenyl-5-[[4-(3-pyridyl)pyrimidin-2-yl]sulfanylmethyl]-4H-pyrazol-3-one CAS Name: 2-phenyl-5-[[[4-(3-pyridinyl)-2-pyrimidinyl]thio]methyl]-4H-pyrazol-3-one IUPAC Name: 2-phenyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)sulfanylmethyl]-4H-pyrazol-3-one Traditional Name: 2-phenyl-5-[[[4-(3-pyridyl)pyrimidin-2-yl]thio]methyl]-2-pyrazolin-3-one Formula: C19H15N5OS MolecularWeight: 361.4203

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=CC=C2)CSC3=NC=CC(=N3)C4=CN=CC=C4

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=CC=C2)CSC3=NC=CC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C19H15N5OS/c25-18-11-15(23-24(18)16-6-2-1-3-7-16)13-26-19-21-10-8-17(22-19)14-5-4-9-20-12-14/h1-10,12H,11,13H2