2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[(4-nitrophenyl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[(4-nitrobenzyl)thio]-1H-pyrimidin-6-one Formula: C11H9N3O3S MolecularWeight: 263.27246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=CC(=O)N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=CC(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O3S/c15-10-5-6-12-11(13-10)18-7-8-1-3-9(4-2-8)14(16)17/h1-6H,7H2,(H,12,13,15)