3-[[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-(4-methoxyphenyl)-6-methyl-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 3-[[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3S/c1-13-10-18(15-6-8-17(25-2)9-7-15)22-20(21-13)26-12-14-4-3-5-16(11-14)19(23)24/h3-11H,12H2,1-2H3,(H,23,24)