1-(3-nitrophenyl)-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(3-nitrophenyl)-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-(3-nitrophenyl)-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-(3-nitrophenyl)-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-(3-nitrophenyl)-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(3-nitrophenyl)-2-(2-pyrimidylthio)ethanone Formula: C12H9N3O3S MolecularWeight: 275.28316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NC=CC=N2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C12H9N3O3S/c16-11(8-19-12-13-5-2-6-14-12)9-3-1-4-10(7-9)15(17)18/h1-7H,8H2