1-(4-bromophenyl)-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(4-bromophenyl)-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-(4-bromophenyl)-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-(4-bromophenyl)-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-(4-bromophenyl)-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(4-bromophenyl)-2-(2-pyrimidylthio)ethanone Formula: C12H9BrN2OS MolecularWeight: 309.18166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CN=C(N=C1)SCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H9BrN2OS/c13-10-4-2-9(3-5-10)11(16)8-17-12-14-6-1-7-15-12/h1-7H,8H2