4-[[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[4-methyl-6-(p-tolyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[4-methyl-6-(4-methylphenyl)-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 4-[[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[4-methyl-6-(p-tolyl)pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C20H18N2O2S/c1-13-3-7-16(8-4-13)18-11-14(2)21-20(22-18)25-12-15-5-9-17(10-6-15)19(23)24/h3-11H,12H2,1-2H3,(H,23,24)