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

Systemtic Name: 2-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)sulfanylmethyl]-4H-pyrazol-3-one Openeye Name: 2-methyl-5-[[4-(3-pyridyl)pyrimidin-2-yl]sulfanylmethyl]-4H-pyrazol-3-one CAS Name: 2-methyl-5-[[[4-(3-pyridinyl)-2-pyrimidinyl]thio]methyl]-4H-pyrazol-3-one IUPAC Name: 2-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)sulfanylmethyl]-4H-pyrazol-3-one Traditional Name: 2-methyl-5-[[[4-(3-pyridyl)pyrimidin-2-yl]thio]methyl]-2-pyrazolin-3-one Formula: C14H13N5OS MolecularWeight: 299.35092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(=N1)CSC2=NC=CC(=N2)C3=CN=CC=C3

Isomeric SMILES

CN1C(=O)CC(=N1)CSC2=NC=CC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C14H13N5OS/c1-19-13(20)7-11(18-19)9-21-14-16-6-4-12(17-14)10-3-2-5-15-8-10/h2-6,8H,7,9H2,1H3