2-(4,6-dimethylpyrimidin-2-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-pyrazol-3-one

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-pyrazol-3-one Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-pyrazol-3-one CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)-5-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4H-pyrazol-3-one IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-pyrazol-3-one Traditional Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-2-pyrazolin-3-one Formula: C13H15N7OS MolecularWeight: 317.3695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=O)CC(=N2)CSC3=NN=CN3C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=O)CC(=N2)CSC3=NN=CN3C)C

InChI

InChI=1S/C13H15N7OS/c1-8-4-9(2)16-12(15-8)20-11(21)5-10(18-20)6-22-13-17-14-7-19(13)3/h4,7H,5-6H2,1-3H3