2-(3,4-dimethylphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one

Systemtic Name: 2-(3,4-dimethylphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 2-(3,4-dimethylphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one CAS Name: 2-(3,4-dimethylphenyl)-5-[[(4-methyl-2-pyrimidinyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(3,4-dimethylphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 2-(3,4-dimethylphenyl)-5-[[(4-methylpyrimidin-2-yl)thio]methyl]-3-pyrazolin-3-one Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C=C(N2)CSC3=NC=CC(=N3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C=C(N2)CSC3=NC=CC(=N3)C)C

InChI

InChI=1S/C17H18N4OS/c1-11-4-5-15(8-12(11)2)21-16(22)9-14(20-21)10-23-17-18-7-6-13(3)19-17/h4-9,20H,10H2,1-3H3