2-[2-(4-nitrophenyl)ethylsulfanyl]pyrimidin-4-olate

Systemtic Name: 2-[2-(4-nitrophenyl)ethylsulfanyl]pyrimidin-4-olate Openeye Name: 2-[2-(4-nitrophenyl)ethylsulfanyl]pyrimidin-4-olate CAS Name: 2-[2-(4-nitrophenyl)ethylthio]-4-pyrimidinolate IUPAC Name: 2-[2-(4-nitrophenyl)ethylsulfanyl]pyrimidin-4-olate Traditional Name: 2-[2-(4-nitrophenyl)ethylthio]pyrimidin-4-olate Formula: C12H10N3O3S- MolecularWeight: 276.2911

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCSC2=NC=CC(=N2)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCSC2=NC=CC(=N2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O3S/c16-11-5-7-13-12(14-11)19-8-6-9-1-3-10(4-2-9)15(17)18/h1-5,7H,6,8H2,(H,13,14,16)/p-1