2-[4-(4-chlorophenyl)sulfanyl-2-methylsulfanyl-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[4-(4-chlorophenyl)sulfanyl-2-methylsulfanyl-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[4-(4-chlorophenyl)sulfanyl-2-methylsulfanyl-pyrimidin-5-yl]acetic acid CAS Name: 2-[4-[(4-chlorophenyl)thio]-2-(methylthio)-5-pyrimidinyl]acetic acid IUPAC Name: 2-[4-(4-chlorophenyl)sulfanyl-2-methylsulfanylpyrimidin-5-yl]acetic acid Traditional Name: 2-[4-[(4-chlorophenyl)thio]-2-(methylthio)pyrimidin-5-yl]acetic acid Formula: C13H11ClN2O2S2 MolecularWeight: 326.82164

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)SC2=CC=C(C=C2)Cl)CC(=O)O

Isomeric SMILES

CSC1=NC=C(C(=N1)SC2=CC=C(C=C2)Cl)CC(=O)O

InChI

InChI=1S/C13H11ClN2O2S2/c1-19-13-15-7-8(6-11(17)18)12(16-13)20-10-4-2-9(14)3-5-10/h2-5,7H,6H2,1H3,(H,17,18)