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

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)-5-[[(1-phenyl-5-tetrazolyl)thio]methyl]-4H-pyrazol-3-one IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one Traditional Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-[[(1-phenyltetrazol-5-yl)thio]methyl]-2-pyrazolin-3-one Formula: C17H16N8OS MolecularWeight: 380.42694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=O)CC(=N2)CSC3=NN=NN3C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=O)CC(=N2)CSC3=NN=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C17H16N8OS/c1-11-8-12(2)19-16(18-11)25-15(26)9-13(21-25)10-27-17-20-22-23-24(17)14-6-4-3-5-7-14/h3-8H,9-10H2,1-2H3