methyl 3-(5-chloranylpyrimidin-2-yl)sulfanylbenzoate

Systemtic Name: methyl 3-(5-chloranylpyrimidin-2-yl)sulfanylbenzoate Openeye Name: methyl 3-(5-chloropyrimidin-2-yl)sulfanylbenzoate CAS Name: 3-[(5-chloro-2-pyrimidinyl)thio]benzoic acid methyl ester IUPAC Name: methyl 3-(5-chloropyrimidin-2-yl)sulfanylbenzoate Traditional Name: 3-[(5-chloropyrimidin-2-yl)thio]benzoic acid methyl ester Formula: C12H9ClN2O2S MolecularWeight: 280.73006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)SC2=NC=C(C=N2)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)SC2=NC=C(C=N2)Cl

InChI

InChI=1S/C12H9ClN2O2S/c1-17-11(16)8-3-2-4-10(5-8)18-12-14-6-9(13)7-15-12/h2-7H,1H3