methyl 4-(pyrimidin-2-ylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-(pyrimidin-2-ylsulfanylmethyl)benzoate Openeye Name: methyl 4-(pyrimidin-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(2-pyrimidinylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(pyrimidin-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(2-pyrimidylthio)methyl]benzoic acid methyl ester Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC=CC=N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC=CC=N2

InChI

InChI=1S/C13H12N2O2S/c1-17-12(16)11-5-3-10(4-6-11)9-18-13-14-7-2-8-15-13/h2-8H,9H2,1H3