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

Systemtic Name: 2-(4-chlorophenyl)-5-[(4-pyridin-3-ylpyrimidin-2-yl)sulfanylmethyl]-4H-pyrazol-3-one Openeye Name: 2-(4-chlorophenyl)-5-[[4-(3-pyridyl)pyrimidin-2-yl]sulfanylmethyl]-4H-pyrazol-3-one CAS Name: 2-(4-chlorophenyl)-5-[[[4-(3-pyridinyl)-2-pyrimidinyl]thio]methyl]-4H-pyrazol-3-one IUPAC Name: 2-(4-chlorophenyl)-5-[(4-pyridin-3-ylpyrimidin-2-yl)sulfanylmethyl]-4H-pyrazol-3-one Traditional Name: 2-(4-chlorophenyl)-5-[[[4-(3-pyridyl)pyrimidin-2-yl]thio]methyl]-2-pyrazolin-3-one Formula: C19H14ClN5OS MolecularWeight: 395.86536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClN5OS/c20-14-3-5-16(6-4-14)25-18(26)10-15(24-25)12-27-19-22-9-7-17(23-19)13-2-1-8-21-11-13/h1-9,11H,10,12H2