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

Systemtic Name: 5-[(4-chlorophenyl)sulfanylmethyl]-2-(4,6-dimethylpyrimidin-2-yl)-4H-pyrazol-3-one Openeye Name: 5-[(4-chlorophenyl)sulfanylmethyl]-2-(4,6-dimethylpyrimidin-2-yl)-4H-pyrazol-3-one CAS Name: 5-[[(4-chlorophenyl)thio]methyl]-2-(4,6-dimethyl-2-pyrimidinyl)-4H-pyrazol-3-one IUPAC Name: 5-[(4-chlorophenyl)sulfanylmethyl]-2-(4,6-dimethylpyrimidin-2-yl)-4H-pyrazol-3-one Traditional Name: 5-[[(4-chlorophenyl)thio]methyl]-2-(4,6-dimethylpyrimidin-2-yl)-2-pyrazolin-3-one Formula: C16H15ClN4OS MolecularWeight: 346.8345

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=O)CC(=N2)CSC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=O)CC(=N2)CSC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C16H15ClN4OS/c1-10-7-11(2)19-16(18-10)21-15(22)8-13(20-21)9-23-14-5-3-12(17)4-6-14/h3-7H,8-9H2,1-2H3