2-[4-chloranyl-6-(2,4-dimethylphenyl)sulfanyl-pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-chloranyl-6-(2,4-dimethylphenyl)sulfanyl-pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-chloro-6-(2,4-dimethylphenyl)sulfanyl-pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-6-[(2,4-dimethylphenyl)thio]-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-chloro-6-(2,4-dimethylphenyl)sulfanylpyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-chloro-6-[(2,4-dimethylphenyl)thio]pyrimidin-2-yl]thio]acetic acid Formula: C14H13ClN2O2S2 MolecularWeight: 340.84822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=CC(=NC(=N2)SCC(=O)O)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC(=NC(=N2)SCC(=O)O)Cl)C

InChI

InChI=1S/C14H13ClN2O2S2/c1-8-3-4-10(9(2)5-8)21-12-6-11(15)16-14(17-12)20-7-13(18)19/h3-6H,7H2,1-2H3,(H,18,19)