4-(2-pyrimidin-2-ylsulfanylethoxy)benzoic acid

Systemtic Name: 4-(2-pyrimidin-2-ylsulfanylethoxy)benzoic acid Openeye Name: 4-(2-pyrimidin-2-ylsulfanylethoxy)benzoic acid CAS Name: 4-[2-(2-pyrimidinylthio)ethoxy]benzoic acid IUPAC Name: 4-(2-pyrimidin-2-ylsulfanylethoxy)benzoic acid Traditional Name: 4-[2-(2-pyrimidylthio)ethoxy]benzoic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CN=C(N=C1)SCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H12N2O3S/c16-12(17)10-2-4-11(5-3-10)18-8-9-19-13-14-6-1-7-15-13/h1-7H,8-9H2,(H,16,17)