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

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)-5-[[(1-methyl-5-tetrazolyl)thio]methyl]-4H-pyrazol-3-one IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one Traditional Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-[[(1-methyltetrazol-5-yl)thio]methyl]-2-pyrazolin-3-one Formula: C12H14N8OS MolecularWeight: 318.35756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=O)CC(=N2)CSC3=NN=NN3C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=O)CC(=N2)CSC3=NN=NN3C)C

InChI

InChI=1S/C12H14N8OS/c1-7-4-8(2)14-11(13-7)20-10(21)5-9(16-20)6-22-12-15-17-18-19(12)3/h4H,5-6H2,1-3H3