2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-2-phenyl-acetic acid CAS Name: 2-[[4-(4-chlorophenyl)-6-methyl-2-pyrimidinyl]thio]-2-phenylacetic acid IUPAC Name: 2-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]sulfanyl-2-phenylacetic acid Traditional Name: 2-[[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]thio]-2-phenyl-acetic acid Formula: C19H15ClN2O2S MolecularWeight: 370.8526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=C(C=C2)Cl)SC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=C(C=C2)Cl)SC(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H15ClN2O2S/c1-12-11-16(13-7-9-15(20)10-8-13)22-19(21-12)25-17(18(23)24)14-5-3-2-4-6-14/h2-11,17H,1H3,(H,23,24)