5-bromanyl-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine-4-carboxylic acid

Systemtic Name: 5-bromanyl-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine-4-carboxylic acid Openeye Name: 5-bromo-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine-4-carboxylic acid CAS Name: 5-bromo-2-[(4-chlorophenyl)methylthio]-4-pyrimidinecarboxylic acid IUPAC Name: 5-bromo-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine-4-carboxylic acid Traditional Name: 5-bromo-2-[(4-chlorobenzyl)thio]pyrimidine-4-carboxylic acid Formula: C12H8BrClN2O2S MolecularWeight: 359.62612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=C(C(=N2)C(=O)O)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=C(C(=N2)C(=O)O)Br)Cl

InChI

InChI=1S/C12H8BrClN2O2S/c13-9-5-15-12(16-10(9)11(17)18)19-6-7-1-3-8(14)4-2-7/h1-5H,6H2,(H,17,18)