5-bromanyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate

Systemtic Name: 5-bromanyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate Openeye Name: 5-bromo-2-(m-tolylmethylsulfanyl)pyrimidine-4-carboxylate CAS Name: 5-bromo-2-[(3-methylphenyl)methylthio]-4-pyrimidinecarboxylate IUPAC Name: 5-bromo-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-bromo-2-[(3-methylbenzyl)thio]pyrimidine-4-carboxylate Formula: C13H10BrN2O2S- MolecularWeight: 338.1997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)[O-])Br

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)[O-])Br

InChI

InChI=1S/C13H11BrN2O2S/c1-8-3-2-4-9(5-8)7-19-13-15-6-10(14)11(16-13)12(17)18/h2-6H,7H2,1H3,(H,17,18)/p-1