1-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)ethanone

Systemtic Name: 1-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)ethanone Openeye Name: 1-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)ethanone CAS Name: 1-[3-nitro-4-(2-pyrimidinylthio)phenyl]ethanone IUPAC Name: 1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)ethanone Traditional Name: 1-[3-nitro-4-(2-pyrimidylthio)phenyl]ethanone Formula: C12H9N3O3S MolecularWeight: 275.28316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NC=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NC=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O3S/c1-8(16)9-3-4-11(10(7-9)15(17)18)19-12-13-5-2-6-14-12/h2-7H,1H3