2-[5-(4-chlorophenyl)pyrimidin-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[5-(4-chlorophenyl)pyrimidin-4-yl]sulfanylethanoic acid Openeye Name: 2-[5-(4-chlorophenyl)pyrimidin-4-yl]sulfanylacetic acid CAS Name: 2-[[5-(4-chlorophenyl)-4-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[5-(4-chlorophenyl)pyrimidin-4-yl]sulfanylacetic acid Traditional Name: 2-[[5-(4-chlorophenyl)pyrimidin-4-yl]thio]acetic acid Formula: C12H9ClN2O2S MolecularWeight: 280.73006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=CN=C2SCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CN=CN=C2SCC(=O)O)Cl

InChI

InChI=1S/C12H9ClN2O2S/c13-9-3-1-8(2-4-9)10-5-14-7-15-12(10)18-6-11(16)17/h1-5,7H,6H2,(H,16,17)